SCHEMBL3336731

SCHEMBL3336731

CSc1nc(O)c2c(n1)CN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
PTGDR2 Q9Y5Y4 13/20 0.46
DHFR P00374 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDR P35968 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GRM5 P41594 1/20 0.44

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
SCHEMBL30421267 0.94 TMEM97 (0.46) TMEM97SIGMAR1PTGDR2DHFRMEN1
SCHEMBL3340495 0.92 TMEM97 (0.49) TMEM97SIGMAR1PTGDR2DHFRKDR
SCHEMBL3337973 0.89 TMEM97 (0.46) TMEM97SIGMAR1PTGDR2DHFRMEN1
SCHEMBL21315070 0.82 TMEM97 (0.45) TMEM97SIGMAR1PTGDR2DHFRMEN1
SCHEMBL3338693 0.82 TMEM97 (0.48) TMEM97SIGMAR1PTGDR2DHFRKDR
SCHEMBL21315051 0.82 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2DHFRMEN1
SCHEMBL19616489 0.81 TMEM97 (0.46) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL30835148 0.80 TMEM97 (0.41) TMEM97SIGMAR1PTGDR2DHFRMEN1
SCHEMBL19616526 0.80 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2DHFRMEN1
SCHEMBL22440456 0.80 LMNA (0.40) PTGDR2ALDH1A1GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4501932-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2025-02-05 EP disclosed
EP-3880208-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-11-20 EP disclosed
US-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT SHANGHAI KECHOW PHARMA, INC. (CN) 2024-09-12 US disclosed
CN-117813306-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物研发有限公司 2024-04-02 CN disclosed
CN-116194456-A Preparation of heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2023-05-30 CN disclosed
WO-2022247760-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT 上海科州药物研发有限公司 2022-12-01 WO disclosed
EP-3880208-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-09-22 EP disclosed
US-20200308170-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-10-01 US disclosed
WO-2020101736-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-05-22 WO disclosed
US-10647715-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-05-12 US disclosed
US-20190270743-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-09-05 US disclosed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 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 (6 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 TMEM97 988/4885SIGMAR1 1764/4885PTGDR2 1727/4885
US-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT KRAS, NRAS, HRAS TMEM97 3639/4885SIGMAR1 4254/4885PTGDR2 1379/4885
US-10647715-B2 KRas G12C inhibitors KRAS, NRAS, HRAS TMEM97 3851/4885SIGMAR1 4812/4885PTGDR2 2675/4885
US-20200308170-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TMEM97 3851/4885SIGMAR1 4812/4885PTGDR2 2675/4885
US-20190270743-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TMEM97 3851/4885SIGMAR1 4812/4885PTGDR2 2675/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK TMEM97 985/4885SIGMAR1 1357/4885PTGDR2 1541/4885

“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.