SCHEMBL17298073

SCHEMBL17298073

CCc1nc2cccc(F)c2c(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.65
TNKS2 Q9H2K2 2/20 0.58
TNKS O95271 1/20 0.53
ACVR1 Q04771 1/20 0.49
DDAH1 O94760 1/20 0.47
MMP13 P45452 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
TYMS P04818 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
SRC P12931 1/20 0.42
PARP2 Q9UGN5 1/20 0.41
PARP14 Q460N5 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3126112 0.84 PARP1 (0.60) PARP1TNKS2TNKSMMP13TYMS
SCHEMBL31523640 0.84 PARP1 (0.60) PARP1TNKS2TNKSMMP13TYMS
SCHEMBL28307043 0.84 PARP1 (0.57) PARP1TNKS2TNKSPARP2
SCHEMBL19104680 0.84 PARP1 (0.60) PARP1TNKS2TNKSMMP13TYMS
SCHEMBL28279923 0.81 TNKS2 (0.58) PARP1TNKS2ACVR1DDAH1ADORA3
SCHEMBL2659299 0.79 PARP1 (1.00) PARP1TNKS2TNKSACVR1MMP13
SCHEMBL29964360 0.79 PARP1 (1.00) PARP1TNKS2TNKSACVR1MMP13
SCHEMBL20339497 0.79 PARP1 (0.64) PARP1TNKS2TNKSPARP2KDM4E
SCHEMBL29902989 0.79 PARP1 (0.64) PARP1TNKS2TNKSPARP2KDM4E
SCHEMBL23073647 0.78 MAPT (0.61) PARP1L3MBTL1PARP2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384731-B Method for preparing quinazolinone from enol 南京理工大学 2021-10-08 CN disclosed
CN-109384731-A A method of quinazolinone is prepared by enol 南京理工大学 2019-02-26 CN disclosed
US-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2017-07-13 US disclosed
WO-2015184011-A2 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-03 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 (1 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-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 PARP1 4526/4885TNKS2 4481/4885TNKS 4665/4885

“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.