SCHEMBL316186

SCHEMBL316186

Nc1ccc(Cl)cc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX15 P16050 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 1/20 0.39
ALOX12 P18054 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29421839 1.00 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL7082410 0.84 MAPT (0.52) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL1242454 0.83 MAPT (0.51) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL3780677 0.82 CYP3A4 (0.48) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL6927527 0.79 ALDH1A1 (0.54) CYP3A4TSHRALDH1A1ALOX15TDP1
SCHEMBL31533760 0.79 GAA (0.39) CYP3A4TSHRALDH1A1ALOX15TDP1
SCHEMBL6310104 0.79 GAA (0.39) CYP3A4TSHRALDH1A1ALOX15TDP1
SCHEMBL7931554 0.79 EPAS1 (0.42) CNR2MAP2SLC6A4AVPR2GPR27
SCHEMBL2544959 0.78 ALDH1A1 (0.46) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL15611319 0.76 CNR2 (0.39) CNR2MAP2SLC6A4AVPR2GPR27

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410170-B2 2,3,5-trisubstituted pyrazolo[1,5-A]pyrimidine compounds ARCUS BIOSCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4419532-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-08-28 EP disclosed
EP-3594211-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2023-10-25 EP disclosed
WO-2023066825-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-27 WO disclosed
US-20230024302-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS ARCUS BIOSCIENCES, INC. 2023-01-26 US disclosed
US-20230024302-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS ARCUS BIOSCIENCES, INC. 2023-01-26 US disclosed
US-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2022-12-08 US disclosed
EP-3980010-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS Arcus Biosciences, Inc. (US) 2022-04-13 EP disclosed
US-11241423-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2022-02-08 US disclosed
WO-2020247496-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS ARCUS BIOSCIENCES, INC. (US) 2020-12-10 WO disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-20060235192-A1 Soluble, low dielectrical constant, unsymmetrical polyimide and a method for preparing the same CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCE (CN) 2006-10-19 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
EP-1335722-B1 INDOLYL-SULFONYL- COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2006-08-30 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
US-20050176705-A1 Compounds useful in the treatment of cns disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-08-11 US disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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-12410170-B2 2,3,5-trisubstituted pyrazolo[1,5-A]pyrimidine compounds PIK3CA, PIK3CG, PIK3CD CYP3A4 3613/4885TSHR 3567/4885ALDH1A1 3899/4885
US-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CYP3A4 3767/4885TSHR 4516/4885ALDH1A1 247/4885
US-20230024302-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS PIK3CA, PIK3CG, PIK3CD CYP3A4 3613/4885TSHR 3567/4885ALDH1A1 3899/4885
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition CYP7A1, UGT1A1, CYP2F1 CYP3A4 75/4885TSHR 3990/4885ALDH1A1 319/4885
US-20050176705-A1 Compounds useful in the treatment of cns disorders SLC18A2, CNR2, TPH2 CYP3A4 1428/4885TSHR 1733/4885ALDH1A1 1596/4885
US-11241423-B2 Antiproliferative compounds and methods of use thereof MCL1, MKI67, BAX CYP3A4 3767/4885TSHR 4516/4885ALDH1A1 247/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 CYP3A4 143/4885TSHR 577/4885ALDH1A1 2650/4885

“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.