SCHEMBL803111

SCHEMBL803111

CC(C)(C)Cc1ccncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
KCNH3 Q9ULD8 1/20 0.35
P2RX7 Q99572 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
CYP2D6 P10635 1/20 0.33
NAMPT P43490 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
ESR1 P03372 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP1B1 Q16678 1/20 0.31
KIF11 P52732 1/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SYK P43405 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30

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
SCHEMBL19954424 0.85 KCNH3 (0.31) KCNH3GRIN1GRIN2BCYP1B1NPC1
SCHEMBL24618427 0.83 HSP90AA1 (0.35) HSP90AA1KCNH3P2RX7FLT1KDR
SCHEMBL25825320 0.80 SCN9A (0.34) ESR1
SCHEMBL13819969 0.79 CYP1A2 (0.38) HSP90AA1KCNH3P2RX7CYP2D6NAMPT
SCHEMBL6698772 0.79 HSP90AA1 (0.36) HSP90AA1KCNH3P2RX7NAMPT
SCHEMBL30960194 0.78 KCNH3 (0.38) HSP90AA1KCNH3P2RX7FLT1KDR
SCHEMBL28025302 0.78 KCNH3 (0.38) HSP90AA1KCNH3P2RX7FLT1KDR
SCHEMBL28436846 0.77 CYP19A1 (0.42) HSP90AA1KCNH3P2RX7NAMPTCYP19A1
SCHEMBL23138104 0.76 CYP2D6 (0.33) HSP90AA1KCNH3FLT1KDRCYP2D6
SCHEMBL13090096 0.75 KCNH3 (0.43) HSP90AA1KCNH3P2RX7FLT1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644688-A2 Novel pyrimidine derivatives and their use in perfume compositions International Flavors & Fragrances Inc. (US) 2013-10-02 EP claimed
US-20120277325-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-11-01 US claimed
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-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-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 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-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-11759455-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-09-19 US disclosed
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation C4 THERAPEUTICS, INC. (US) 2023-09-07 US disclosed
US-20230279007-A1 Compounds for Improving mRNA Splicing THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2023-09-07 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 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 (12 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-20230279007-A1 Compounds for Improving mRNA Splicing RTCB, RBM17, HNRNPA2B1 HSP90AA1 3561/4885KCNH3 3654/4885P2RX7 4662/4885
US-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HSP90AA1 3693/4885KCNH3 4287/4885P2RX7 3997/4885
US-20120277325-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS DPYD, HINT1, MTR HSP90AA1 3649/4885KCNH3 2360/4885P2RX7 72/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 HSP90AA1 3499/4885KCNH3 513/4885P2RX7 2/4885
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION STUB1, MDM2, USP30 HSP90AA1 198/4885KCNH3 4869/4885P2RX7 4134/4885
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SCN7A, SCN10A, HCN3 HSP90AA1 378/4885KCNH3 17/4885P2RX7 203/4885
US-11759455-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C HSP90AA1 2631/4885KCNH3 1699/4885P2RX7 103/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 HSP90AA1 3693/4885KCNH3 4287/4885P2RX7 3997/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 HSP90AA1 898/4885KCNH3 3218/4885P2RX7 2975/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 HSP90AA1 721/4885KCNH3 4544/4885P2RX7 4159/4885
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation CRBN, CBL, STUB1 HSP90AA1 2735/4885KCNH3 3862/4885P2RX7 4648/4885
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C HSP90AA1 2631/4885KCNH3 1699/4885P2RX7 103/4885

“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.