SCHEMBL720577

SCHEMBL720577

Nc1cccc(F)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KEAP1 Q14145 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPA1 O75762 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL5794355 0.85 TSHR (0.43) TSHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL1541726 0.82 TRPA1 (0.40) TSHRMAPK1ALDH1A1TRPA1HCAR1
SCHEMBL279180 0.79 CYP3A4 (0.39) TSHRCYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL2202986 0.78 ALDH1A1 (0.43) TSHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL790403 0.76 HSD11B1 (0.40) TSHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL11058092 0.76 TSHR (0.37) TSHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL3786889 0.74 TSHR (0.48) TSHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL10338299 0.74 CD44 (0.50) TSHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL22660160 0.74 HCAR1 (0.36) TSHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL5511696 0.74 TSHR (0.48) TSHRMAPK1CYP3A4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022228449-A1 PREPARATION METHOD FOR POLYIMIDE RESIN AND THIN FILM THEREOF 上海瑞暨新材料科技有限公司 2022-11-03 WO claimed
US-5082971-A TRIFLUOROMETHYLAMINOBENZENES CONTAINING FLUORINE AND/OR CHLORINE AND THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US claimed
EP-3958865-B1 4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES BAYER AG (DE) 2025-12-10 EP disclosed
US-12403135-B2 4H-pyrrolo[3,2-c]pyridin-4-one derivatives BAYER AKTIENGESELLSCHAFT (DE) 2025-09-02 US disclosed
CN-112625028-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2024-10-29 CN disclosed
CN-118812517-A Antitumor compounds as UPR agonists and uses thereof 南京圣和药业股份有限公司 2024-10-22 CN disclosed
US-20240199609-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2024-06-20 US disclosed
US-11905283-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2024-02-20 US disclosed
EP-3700904-B1 4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES BAYER AG (DE) 2023-07-19 EP disclosed
EP-3700904-B1 4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES BAYER AG (DE) 2023-07-19 EP disclosed
CN-115490709-A KRASG12D inhibitor and application thereof in medicine 四川海思科制药有限公司 2022-12-20 CN disclosed
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 WO disclosed
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 WO disclosed
WO-2010057899-A1 CYCLOALKYL AMINO CARBONYL DERIVATIVES AS BRADYKININ-B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 WO disclosed
EP-0318704-B1 3-CYANO-4-PHENYL-PYRROLE DERIVATIVES BAYER AG (DE) 1992-12-02 EP disclosed
US-5082971-A TRIFLUOROMETHYLAMINOBENZENES CONTAINING FLUORINE AND/OR CHLORINE AND THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed
US-5015757-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
US-4960789-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0318704-A2 3-Cyano-4-phenyl-pyrrole derivatives BAYER AG (DE) 1989-06-07 EP disclosed
EP-0315863-A2 Trifluoromethylamino benzenes containing fluorine, and their preparation BAYER AG (DE) 1989-05-17 EP 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 (3 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-12403135-B2 4H-pyrrolo[3,2-c]pyridin-4-one derivatives EGFR, ERBB2, ERBB4 TSHR 2270/4885MAPK1 212/4885CYP3A4 670/4885
US-11905283-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN2, PTPN5 TSHR 1667/4885MAPK1 124/4885CYP3A4 4188/4885
US-20240199609-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN2, PTPN5 TSHR 1667/4885MAPK1 124/4885CYP3A4 4188/4885

“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.