SCHEMBL1912682

SCHEMBL1912682

CC(C)(C)Cc1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSP90AA1 P07900 1/20 0.36
VNN1 O95497 3/20 0.35
KDM4E B2RXH2 4/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NAPRT Q6XQN6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
DAO P14920 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2021219 0.79 KDM4E (0.34) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL18647608 0.79 CYP1A2 (0.30) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9751446 0.78 NUDT1 (0.37) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL6698770 0.78 HSP90AA1 (0.34) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL21024973 0.78 CYP2D6 (0.33) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL23138108 0.78 CYP2D6 (0.33) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL11260406 0.78 CYP1A2 (0.31) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL21325077 0.78 ESR1 (0.33)
SCHEMBL31229938 0.77 HSP90AA1 (0.36) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL27331148 0.77 HSP90AA1 (0.36) HDAC3HDAC1HDAC2HDAC6CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 161 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2023-11-09 US disclosed
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2023-10-26 US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20100324064-A1 NOVEL ANALOGS OF CHOLINE FOR NEUROPROTECTION AND COGNITIVE ENHANCEMENT IN NEURODEGENERATIVE DISORDERS MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE (US) 2010-12-23 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-7786147-B2 Analogs of choline for neuroprotection and cognitive enhancement in neurodegenerative disorders Medical College of Georgia Research Institute. (US) 2010-08-31 US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 US disclosed
US-4487613-A 2-METHOXY-3ISOBUTYL PYRAZINE, 4-METHYL-4-MERCAPTO-2-PENANONE AND A MONOMERCAPTAN OR SULFIDE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 HDAC3 203/4885HDAC1 682/4885HDAC2 738/4885
US-20100324064-A1 NOVEL ANALOGS OF CHOLINE FOR NEUROPROTECTION AND COGNITIVE ENHANCEMENT IN NEURODEGENERATIVE DISORDERS CDR2, CHAT, CHRNA2 HDAC3 2675/4885HDAC1 2006/4885HDAC2 1411/4885
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 HDAC3 2421/4885HDAC1 2565/4885HDAC2 1617/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 HDAC3 1402/4885HDAC1 3458/4885HDAC2 2824/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 HDAC3 2910/4885HDAC1 2983/4885HDAC2 2816/4885
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION STUB1, MDM2, USP30 HDAC3 2828/4885HDAC1 2423/4885HDAC2 2860/4885
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SCN7A, SCN10A, HCN3 HDAC3 343/4885HDAC1 702/4885HDAC2 1042/4885
US-11873317-B2 Galectin-3 inhibiting c-glycosides LGALS3, LGALS3BP, LGALS1 HDAC3 766/4885HDAC1 1301/4885HDAC2 2112/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 HDAC3 3536/4885HDAC1 3195/4885HDAC2 3054/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 HDAC3 3488/4885HDAC1 2674/4885HDAC2 3506/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 HDAC3 2248/4885HDAC1 883/4885HDAC2 1051/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 HDAC3 1853/4885HDAC1 598/4885HDAC2 1425/4885
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C HDAC3 439/4885HDAC1 351/4885HDAC2 332/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.