SCHEMBL14367992

SCHEMBL14367992

CCCc1cccc(Nc2ncccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GRM4 Q14833 1/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
IDO1 P14902 1/20 0.41
AURKA O14965 3/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
SYK P43405 5/20 0.40
PTGS1 P23219 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
SCHEMBL14368037 0.86 GRM4 (0.56) GRM4CDK5CDK5R1TLR4TLR2
SCHEMBL29196033 0.84 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1406273 0.79 MAPT (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28057053 0.77 AURKA (0.64) AURKARPS6KB1AURKBSYK
SCHEMBL5745899 0.77 NR3C2 (0.40)
SCHEMBL15939450 0.76 KDR (0.55)
SCHEMBL8221872 0.74 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3949026 0.73 NFKB1 (0.61) GRM4CDK5CDK5R1AURKAAURKB
SCHEMBL30133177 0.73 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11585925 0.73 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 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-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B GRIN2D 1322/4885GRIN3B 921/4885GRIN1 643/4885

“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.