SCHEMBL16997495

SCHEMBL16997495

CC(C)(C)c1nnc(-c2ncccn2)o1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.36
CYP1A2 P05177 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
DGAT1 O75907 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL16543489 0.78 KDM4E (0.50) CYP1A2PKMKDM4ENPC1RAB9A
SCHEMBL15471366 0.74 S1PR1 (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15599482 0.72 BRD4 (0.40) NPC1RAB9A
SCHEMBL13609458 0.72 PTGS1 (0.42) CNR2CYP1A2KDM4ENPC1RAB9A
SCHEMBL14369743 0.72 KDM4E (0.53) CYP1A2PKMMAPK1KDM4ENPC1
SCHEMBL3858280 0.72 RAB9A (0.61) KDM4ENPC1RAB9A
SCHEMBL2612639 0.71 NPC1 (0.49) CYP1A2DGAT1KDM4ENPC1RAB9A
SCHEMBL16997526 0.71 TP53 (0.63) CYP1A2PKMMAPK1KDM4ENPC1
SCHEMBL15879031 0.71 PIK3CB (0.39) CNR2CYP1A2PIK3CDPIK3R1PIK3CA
SCHEMBL16997502 0.71 KDM4E (0.47) CNR2KDM4E

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 2 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

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 CNR2 4597/4885CYP1A2 1356/4885PIK3CD 636/4885

“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.