SCHEMBL2191063

SCHEMBL2191063

O=c1nc[nH]c2ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.54
KDM4E B2RXH2 3/20 0.45
GPR84 Q9NQS5 2/20 0.44
CHEK1 O14757 1/20 0.42
MPO P05164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TSHR P16473 1/20 0.41
IDO1 P14902 3/20 0.40
HTR2A P28223 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
FEN1 P39748 1/20 0.40
MAP3K14 Q99558 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HTR1A P08908 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
SCHEMBL1345856 0.85 PARP1 (0.50) PARP1KDM4EGPR84CHEK1IDO1
SCHEMBL29798728 0.85 PARP1 (0.50) PARP1KDM4EGPR84CHEK1IDO1
SCHEMBL8622177 0.79 ACVR1 (0.46) PARP1CHEK1ALDH1A1HTTKMT2A
SCHEMBL1584889 0.79 PIM1 (0.56) GPR84CHEK1ALDH1A1HTTIDO1
SCHEMBL8700858 0.78 PARP1 (0.54) PARP1KDM4EALDH1A1CYP2C19
SCHEMBL2191001 0.78 PARP1 (0.54) PARP1GPR84CHEK1ALDH1A1GAA
SCHEMBL2574527 0.78 LMNA (0.57) PARP1KDM4EALDH1A1GLAGAA
SCHEMBL216175 0.78 PARP1 (0.54) PARP1CHEK1ALDH1A1HTTIDO1
SCHEMBL1507612 0.78 PARP1 (0.54) PARP1KDM4ECHEK1ALDH1A1IDO1
SCHEMBL3429702 0.77 MAPT (0.43) PARP1GPR84CHEK1MPOALDH1A1

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 38 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-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US 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-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-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20220242875-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2022-08-04 US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO disclosed
US-8173806-B2 Method for production of quinazolin-4-one derivative MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-05-08 US disclosed
EP-1997812-B1 METHOD FOR PRODUCTION OF QUINAZOLIN-4-ON DERIVATIVE MITSUBISHI GAS CHEMICAL CO (JP) 2011-07-13 EP disclosed
US-20090054646-A1 Method for Production of Quinazolin 4-One Derivative MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-02-26 US disclosed
EP-1997812-A1 METHOD FOR PRODUCTION OF QUINAZOLIN-4-ON DERIVATIVE Mitsubishi Gas Chemical Company, Inc. (JP) 2008-12-03 EP disclosed
US-5580870-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1996-12-03 US disclosed
EP-0602851-B1 Quinazoline derivatives ZENECA LTD (GB) 1996-10-09 EP disclosed
EP-0602851-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1994-06-22 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 (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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PARP1 1960/4885KDM4E 3220/4885GPR84 2610/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS PARP1 1612/4885KDM4E 2534/4885GPR84 2475/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS PARP1 1495/4885KDM4E 3221/4885GPR84 2428/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PARP1 1495/4885KDM4E 3221/4885GPR84 2428/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PARP1 1960/4885KDM4E 3220/4885GPR84 2610/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PARP1 1960/4885KDM4E 3220/4885GPR84 2610/4885
US-20090054646-A1 Method for Production of Quinazolin 4-One Derivative NQO2, ALDH7A1, ALAD PARP1 2157/4885KDM4E 3548/4885GPR84 2609/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PARP1 1960/4885KDM4E 3220/4885GPR84 2610/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PARP1 1960/4885KDM4E 3220/4885GPR84 2610/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PARP1 1960/4885KDM4E 3220/4885GPR84 2610/4885

“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.