SCHEMBL16183277

SCHEMBL16183277

CCOc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(=O)NCc3cccs3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
KDM4E B2RXH2 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
PDE5A O76074 1/20 0.49
RAB9A P51151 1/20 0.46
MAPT P10636 10/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
NPSR1 Q6W5P4 5/20 0.44
LMNA P02545 4/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL14727273 0.93 KDR (0.52) KDRKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL14473999 0.88 MAPT (0.50) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14475809 0.86 MAPT (0.47) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14727265 0.85 LMNA (0.49) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14475770 0.84 USP2 (0.51) KDRKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL14726046 0.83 ABCG2 (0.51) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14473990 0.81 MAPT (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14474087 0.81 ABCG2 (0.55) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14727269 0.81 ABCG2 (0.54) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20273406 0.80 ROCK2 (0.44) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9

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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB KDR 4383/4885KDM4E 1395/4885CYP1A2 2971/4885

“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.