SCHEMBL10130709

SCHEMBL10130709

CC(C)N1C[C@@H](C)O[C@H](C)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
EBP Q15125 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 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
SCHEMBL104800 1.00 PDK1 (0.38) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL1911485 1.00 PDK1 (0.38) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL10130710 1.00 PDK1 (0.38) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL20329193 0.84 KDM4E (0.30) ALDH1A1KDM4EGAACYP2C9HPGD
SCHEMBL19012719 0.84 ALDH1A1 (0.34) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL25081335 0.84 KDM4E (0.33) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL18431554 0.82 PDK1 (0.31) PDK1
SCHEMBL25134333 0.82 PDK1 (0.31) PDK1
SCHEMBL24044808 0.79 KDM4E (0.36) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL24654733 0.79 KDM4E (0.36) PDK1ALDH1A1KDM4EGAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-23 US disclosed
WO-2023222850-A1 AMIDO HETEROAROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF LIVER DISEASES ASTRAZENECA AB (SE) 2023-11-23 WO disclosed
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 US disclosed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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 (11 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 PDK1 3925/4885ALDH1A1 1966/4885KDM4E 2088/4885
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV PDK1 4653/4885ALDH1A1 858/4885KDM4E 3682/4885
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD PDK1 15/4885ALDH1A1 3410/4885KDM4E 3825/4885
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PDK1 504/4885ALDH1A1 2776/4885KDM4E 190/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 PDK1 3925/4885ALDH1A1 1966/4885KDM4E 2088/4885
US-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 PDK1 1206/4885ALDH1A1 295/4885KDM4E 2799/4885
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN BRDT, BET1, BRD4 PDK1 3623/4885ALDH1A1 3230/4885KDM4E 674/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PDK1 504/4885ALDH1A1 2776/4885KDM4E 190/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 PDK1 504/4885ALDH1A1 2776/4885KDM4E 190/4885
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS CYP7A1, SLC10A1, CYP11B2 PDK1 1713/4885ALDH1A1 299/4885KDM4E 4227/4885
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy ABL1, CDK2, JAK2 PDK1 64/4885ALDH1A1 1568/4885KDM4E 1684/4885

“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.