SCHEMBL12710074

SCHEMBL12710074

CC(C)c1cn(C2CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 11/20 0.36
CPB1 P15086 4/20 0.36
NLRP3 Q96P20 1/20 0.36
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KDM5A P29375 1/20 0.32

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
SCHEMBL22747249 0.92 CPB1 (0.40) CPB2CPB1NLRP3CDK5CDK5R1
SCHEMBL14701589 0.92 CPB1 (0.43) CPB2CPB1NLRP3CDK5CDK5R1
SCHEMBL14701588 0.91 CPB1 (0.44) CPB2CPB1NLRP3CDK5CDK5R1
SCHEMBL14701744 0.88 HTR4 (0.34) CPB2CPB1NLRP3
SCHEMBL25590432 0.87 CYP11B2 (0.39) CPB2CPB1NLRP3KDM5A
SCHEMBL19589366 0.84 DRD2 (0.40) CPB2CPB1NLRP3KDM2BDRD2
SCHEMBL24495989 0.83 CCNT1 (0.32)
SCHEMBL19732476 0.81 KDM2B (0.45) CPB1KDM2B
SCHEMBL24936212 0.81 KDM2B (0.45) CPB1KDM2B
SCHEMBL14925550 0.81 LRRK2 (0.36)

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024092116-A1 COMBINATION OF TEAD INHIBITORS AND EGFR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2024-05-02 WO disclosed
US-11760728-B2 Tead inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-09-19 US disclosed
US-11760728-B2 Tead inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-09-19 US disclosed
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
US-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-12-22 US disclosed
EP-4105207-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2022-12-21 EP disclosed
WO-2022187518-A1 SUBSTITUTED 4-PIPERIDINYL-IMIDAZO[4,5-B]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-09-09 WO disclosed
WO-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed
WO-2022120353-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed
US-11274082-B2 Tead inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-03-15 US disclosed
WO-2021160087-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 贝达药业股份有限公司 2021-08-19 WO disclosed
WO-2021057882-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR 贝达药业股份有限公司 2021-04-01 WO disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
US-20200407327-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2020-12-31 US disclosed
WO-2020243415-A2 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-12-03 WO disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-8344153-B2 Inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-20110081316-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-20100316605-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-16 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 (8 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 CPB2 3221/4885CPB1 2530/4885NLRP3 328/4885
US-11274082-B2 Tead inhibitors and uses thereof TEAD2, TEAD3, TEAD4 CPB2 2318/4885CPB1 1826/4885NLRP3 270/4885
US-20100316605-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CG, PIK3CD CPB2 4008/4885CPB1 3464/4885NLRP3 3097/4885
US-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR EGFR, ERBB2, ERBB3 CPB2 1102/4885CPB1 726/4885NLRP3 4343/4885
US-20110081316-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG CPB2 4347/4885CPB1 3943/4885NLRP3 648/4885
US-11760728-B2 Tead inhibitors and uses thereof TEAD2, TEAD3, TEAD4 CPB2 2318/4885CPB1 1826/4885NLRP3 270/4885
US-20200407327-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 CPB2 2318/4885CPB1 1826/4885NLRP3 270/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CPB2 2274/4885CPB1 2710/4885NLRP3 3786/4885

“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.