SCHEMBL3791191

SCHEMBL3791191

Nc1cccc(-c2ccccc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAP4K4 O95819 3/20 0.52
BACE1 P56817 1/20 0.49
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 2/20 0.44
BRD4 O60885 1/20 0.44
MEN1 O00255 2/20 0.43
MECP2 P51608 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE3B Q13370 1/20 0.43

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
SCHEMBL3780887 0.86 MAP4K4 (0.50) MAOAMAP4K4CYP3A4CASP1RECQL
SCHEMBL25009471 0.84 ALDH1A1 (0.44) MAOAMAP4K4BACE1ALOX5APFEN1
SCHEMBL29628986 0.84 PTPRC (0.55) MAP4K4BACE1PTPRCPTPN1ALOX5AP
SCHEMBL12856837 0.84 PTPRC (0.55) MAP4K4BACE1PTPRCPTPN1ALOX5AP
SCHEMBL2023695 0.84 MAOA (0.68) MAOAMAP4K4CYP3A4CASP1RECQL
SCHEMBL29471388 0.84 MAOA (0.68) MAOAMAP4K4CYP3A4CASP1RECQL
SCHEMBL3787962 0.83 MAOA (0.50) MAOAMAP4K4ALOX5APFEN1CYP3A4
SCHEMBL3784515 0.83 MAOA (0.50) MAOAMAP4K4CYP3A4CASP1RECQL
SCHEMBL12856709 0.82 PTPRC (0.53) MAP4K4BACE1PTPRCPTPN1ALOX5AP
SCHEMBL2442271 0.82 MAOA (0.65) MAOAMAP4K4PTPRCCYP3A4CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271936-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271936-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271936-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-08-31 US disclosed
EP-4194443-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-06-14 EP disclosed
EP-4194443-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-06-14 EP disclosed
CN-105283443-B Hete rocyclic derivatives and application thereof 株式会社C&C新药研究所 2018-08-17 CN disclosed
WO-2015182769-A1 QUINAZOLINE AND BENZOQUINAZOLINE COMPOUNDS AND PRODUCTION AND USE OF SAME 東ソー株式会社 2015-12-03 WO disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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 (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-20230271936-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF EGFR, WEE1, WEE2 MAOA 3060/4885MAP4K4 2579/4885BACE1 1619/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAOA 348/4885MAP4K4 3704/4885BACE1 925/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 MAOA 1247/4885MAP4K4 4470/4885BACE1 3142/4885

“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.