SCHEMBL16183244

SCHEMBL16183244

COc1ccc2nc(-c3ccccc3)nc(Nc3ccccn3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.60
AURKB Q96GD4 1/20 0.60
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPT P10636 4/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ABCG2 Q9UNQ0 12/20 0.56
PDE5A O76074 1/20 0.55
ACP1 P24666 1/20 0.53
ABCB1 P08183 3/20 0.52
ABCC1 P33527 1/20 0.52
TP53 P04637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL14473965 0.91 ABCG2 (0.64) AURKAAURKBMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL2155632 0.90 ABCG2 (0.63) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL16404461 0.84 ABCG2 (0.74) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL12619236 0.83 AURKA (0.86) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL16183327 0.81 ABCG2 (0.65) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL1062754 0.81 ABCG2 (0.65) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL16183247 0.79 MAP4K2 (0.51) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL16183242 0.79 ABCG2 (0.62) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL14359237 0.79 ABCG2 (0.62) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL16183323 0.79 ABCG2 (0.62) MEN1KMT2AMAPTKDM4ELMNA

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 1 patent. 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

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 AURKA 2190/4885AURKB 1803/4885MEN1 4814/4885

“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.