SCHEMBL18763510

SCHEMBL18763510

[c]1ccnc2sc3nccn3c12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
CCNE1 P24864 1/20 0.31
CDK2 P24941 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
SCHEMBL2918338 0.71 IDO1 (0.33) IDO1
SCHEMBL18763496 0.70 IDO1 (0.32) IDO1CCNE1CDK2
SCHEMBL16608505 0.64 CYP2A6 (0.36) IDO1
SCHEMBL18763529 0.62 IDO1 (0.34) IDO1
SCHEMBL453372 0.57
SCHEMBL5044966 0.57 IDO1 (0.36) IDO1
SCHEMBL3621581 0.55
SCHEMBL5044838 0.55 IDO1 (0.34) IDO1
SCHEMBL8914 0.53
SCHEMBL14788249 0.53 GRM5 (0.38) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022188841-A1 HISTONE DEACETYLASE INHIBITOR AND APPLICATION THEREOF 微境生物医药科技(上海)有限公司 2022-09-15 WO disclosed
US-10988476-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2021-04-27 US disclosed
US-20200239470-A1 Substituted Pyrimidine Compound for Treating Cancer SHANGHAI PHARMACEUTICALS HOLDING CO LTD (CN) 2020-07-30 US disclosed
EP-3191483-B1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF NORTH & SOUTH BROTHER PHARMACY INVESTMENT CO LTD (CN) 2020-06-10 EP disclosed
US-10662186-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-05-26 US disclosed
WO-2019174533-A1 SMALL MOLECULE PD-1/PD-L1 INHIBITOR AND USE THEREOF IN DRUGS 广东东阳光药业有限公司 2019-09-19 WO disclosed
EP-3169671-B1 1-(5-(TERT.-BUTYL)ISOXAZOL-3-YL)-3-(4-((PHENYL)ETHYNYL)PHENYL)UREA DERIVATIVES AND RELATED COMPOUNDS AS FLT3 INHIBITORS FOR TREATING CANCER SUNSHINE LAKE PHARMA CO LTD (CN) 2019-08-21 EP disclosed
US-20190010153-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2019-01-10 US disclosed
EP-3398947-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2018-11-07 EP disclosed
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-09-04 US disclosed
US-9951010-B2 Compounds as CRTH2 antagonist and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-04-24 US disclosed
US-20170267634-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-09-21 US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 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 (7 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-20200239470-A1 Substituted Pyrimidine Compound for Treating Cancer DPYD, TYMP, TYMS IDO1 1302/4885CCNE1 674/4885CDK2 112/4885
US-10662186-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors CDK6, CDK4, CCNI IDO1 1975/4885CCNE1 35/4885CDK2 6/4885
US-20190010153-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF CDK6, CDK4, CCNI IDO1 1878/4885CCNE1 33/4885CDK2 13/4885
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF ULK2, ULK3, ULK1 IDO1 4020/4885CCNE1 800/4885CDK2 23/4885
US-10988476-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors CDK1, CCNI, CDK2 IDO1 1643/4885CCNE1 33/4885CDK2 3/4885
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof ULK2, ULK3, ULK1 IDO1 4020/4885CCNE1 800/4885CDK2 23/4885
US-20170267634-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF HRH2, PTGDR2, HRH1 IDO1 818/4885CCNE1 1993/4885CDK2 425/4885

“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.