SCHEMBL1337142

SCHEMBL1337142

Fc1ccc(C(F)F)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
APLNR P35414 1/20 0.34
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GPR139 Q6DWJ6 1/20 0.30
DPP4 P27487 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
SCHEMBL29890715 1.00 PKM (0.35) PKMAPLNRCES2CES1CA3
SCHEMBL29707097 0.81 PDE3B (0.37) PKMCES2CES1CA3CA6
SCHEMBL1420082 0.81 PDE3B (0.37) PKMCES2CES1CA3CA6
SCHEMBL9072518 0.79 APLNR (0.39) PKMAPLNRCES2CES1CYP1A2
SCHEMBL8162748 0.76 TRPV4 (0.34)
SCHEMBL3708094 0.76 APLNR (0.43) PKMAPLNRCES2CES1CA3
SCHEMBL17766971 0.76 PDE2A (0.43) APLNRGPR139DPP4
SCHEMBL7081498 0.76 PDE2A (0.43) APLNRGPR139DPP4
SCHEMBL1345761 0.76 PDE2A (0.43) APLNRGPR139DPP4
SCHEMBL30848143 0.76 APLNR (0.43) PKMAPLNRCES2CES1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570638-B2 Fused imidazole derivatives as AHR antagonists SAIL BIOMEDICINES, INC. (US) 2026-03-10 US disclosed
US-20250051310-A1 BENZAZEPINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-02-13 US disclosed
US-20240132500-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2024-04-25 US disclosed
EP-4056557-B1 BENZAZEPINE DERIVATIVES USEFUL AS MEDICAMENTS OTSUKA PHARMA CO LTD (JP) 2023-11-22 EP disclosed
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists SENDA BIOSCIENCES, INC. 2023-10-19 US disclosed
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists SENDA BIOSCIENCES, INC. 2023-10-19 US disclosed
US-20230265073-A1 BENZAZEPINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-08-24 US disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US disclosed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-11 US disclosed
EP-2350071-A1 SUBSTITUTED PYRAZOLOÝ1,5-a¨PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2011-08-03 EP disclosed
CN-101952286-A Bicyclic derivatives for use in the treatment of androgen receptor associated conditions ASTRAZENECA AB 2011-01-19 CN disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 WO disclosed
WO-2010048314-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-04-29 WO disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 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 (10 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-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists AHR, ARNT, AIPL1 PKM 2004/4885APLNR 560/4885CES2 4087/4885
US-20240132500-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 PKM 219/4885APLNR 2883/4885CES2 1536/4885
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors PDXK, DTYMK, TNNI3K PKM 590/4885APLNR 1954/4885CES2 4464/4885
US-20230265073-A1 BENZAZEPINE DERIVATIVES AVPR2, AVPR1A, AVPR1B PKM 1836/4885APLNR 685/4885CES2 1926/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 PKM 228/4885APLNR 2971/4885CES2 1541/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA PKM 435/4885APLNR 212/4885CES2 2083/4885
US-20250051310-A1 BENZAZEPINE DERIVATIVES AVPR2, AVPR1A, AVPR1B PKM 1375/4885APLNR 893/4885CES2 1490/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 PKM 1977/4885APLNR 301/4885CES2 1018/4885
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists AHR, ARNT, AIPL1 PKM 2839/4885APLNR 1213/4885CES2 3599/4885
US-12570638-B2 Fused imidazole derivatives as AHR antagonists AHR, ARNT, AIPL1 PKM 2501/4885APLNR 1034/4885CES2 4245/4885

“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.