SCHEMBL857214

SCHEMBL857214

COC(=O)c1cc(I)c(Cl)cc1N

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.60
ABL1 P00519 1/20 0.56
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.53
GAA P10253 5/20 0.53
HSD17B10 Q99714 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
NQO2 P16083 7/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.39
NR4A2 P43354 1/20 0.39

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
SCHEMBL144288 0.86 GAA (0.53) CFTRABL1KDM4EALDH1A1GAA
SCHEMBL1884944 0.85 GAA (0.64) CFTRABL1KDM4EALDH1A1GAA
SCHEMBL21857249 0.85 GAA (0.50) CFTRABL1KDM4EALDH1A1GAA
SCHEMBL2849661 0.84 CFTR (0.45) CFTRABL1ALDH1A1GAAMAPT
SCHEMBL7762378 0.84 ABL1 (0.61) CFTRABL1KDM4EALDH1A1GAA
SCHEMBL28922445 0.84 CFTR (0.66) CFTRABL1KDM4EALDH1A1GAA
SCHEMBL17030839 0.81 ABL1 (0.57) CFTRABL1KDM4EALDH1A1GAA
SCHEMBL12488367 0.81 CFTR (0.43) CFTRABL1KDM4EALDH1A1GAA
SCHEMBL11922587 0.81 ABL1 (0.57) CFTRABL1KDM4EALDH1A1GAA
SCHEMBL12021191 0.81 CFTR (0.62) CFTRABL1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
US-12162893-B2 Tricyclic pyridones and pyrimidones ERASCA, INC. (US) 2024-12-10 US disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
CN-118076612-A Sulfur-containing heteroaromatic tricyclic KRAS inhibitors 医睿世康药业研发公司 2024-05-24 CN disclosed
EP-4347603-A1 SULFUR-CONTAINING HETEROAROMATIC TRICYCLIC KRAS INHIBITORS Erasca, Inc. (US) 2024-04-10 EP disclosed
US-20240043441-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-02-08 US disclosed
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2024-01-23 US disclosed
US-11845761-B2 Tricyclic pyridones and pyrimidones ERASCA, INC. (US) 2023-12-19 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-6150522-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-11-21 US disclosed
US-6150352-A ARYLQUINOLONE ANALOGS MERCK & CO., INC. (US) 2000-11-21 US disclosed
US-6147088-A USEFUL FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED CONDITIONS MERCK & CO., INC. (US) 2000-11-14 US disclosed
EP-0901471-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 1999-08-25 EP disclosed
EP-0920319-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-06-09 EP disclosed
EP-0901471-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-03-17 EP disclosed
EP-0901489-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-03-17 EP disclosed
WO-1997044041-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed
WO-1997044339-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed
WO-1997044321-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO 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-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CFTR 326/4885ABL1 67/4885KDM4E 2534/4885
US-11845761-B2 Tricyclic pyridones and pyrimidones KRAS, NRAS, HRAS CFTR 1205/4885ABL1 111/4885KDM4E 2592/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CFTR 697/4885ABL1 82/4885KDM4E 3221/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CFTR 697/4885ABL1 82/4885KDM4E 3221/4885
US-12162893-B2 Tricyclic pyridones and pyrimidones DHFR, TYMS, TYMP CFTR 1960/4885ABL1 147/4885KDM4E 3415/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CFTR 524/4885ABL1 216/4885KDM4E 3220/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CFTR 524/4885ABL1 216/4885KDM4E 3220/4885

“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.