SCHEMBL7183033

SCHEMBL7183033

CC(C)(C)n1c(=O)[nH]c2cc(C#N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
TNKS O95271 7/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DAO P14920 1/20 0.41
TNKS2 Q9H2K2 1/20 0.40
CASP3 P42574 1/20 0.39
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3B P49841 1/20 0.36
CSNK1G2 P78368 1/20 0.36
PGR P06401 1/20 0.36
PIN1 Q13526 1/20 0.36
HSD11B1 P28845 2/20 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
SCHEMBL3932874 0.81 MAPT (0.61) MAPTNOS3NOS1NOS2TNKS
SCHEMBL16997510 0.80 DAO (0.62) MAPTNOS3NOS1NOS2DAO
SCHEMBL7191331 0.80 MAPT (0.35) MAPTNOS3NOS1NOS2TNKS
SCHEMBL20079378 0.77 POLB (0.55) MAPTNOS3NOS1NOS2TNKS
SCHEMBL13920393 0.76 NFKB1 (0.41) MAPTL3MBTL1DAOCASP3PGR
SCHEMBL16997517 0.76 MEN1 (0.54) MAPTL3MBTL1DAOPGR
SCHEMBL16997527 0.76 DAO (0.60) DAOPGR
SCHEMBL31744065 0.76 L3MBTL1 (0.42) MAPTL3MBTL1DAOPGR
SCHEMBL639722 0.76 NR1H2 (0.40) MAPTTNKSL3MBTL1TNKS2
SCHEMBL7184073 0.75 PGR (0.42) MAPTNOS3NOS1NOS2TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 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 (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-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 MAPT 3408/4885NOS3 818/4885NOS1 558/4885

“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.