SCHEMBL14475151

SCHEMBL14475151

COc1cccc(-c2ccc3nc(-c4cccnc4)nc(C(F)(F)F)c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.53
ABCB1 P08183 1/20 0.53
CCNE2 O96020 3/20 0.53
CCNE1 P24864 3/20 0.53
CDK2 P24941 3/20 0.53
MAPT P10636 5/20 0.51
CYP19A1 P11511 2/20 0.50
CYP17A1 P05093 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP11B1 P15538 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48

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
SCHEMBL14475576 0.86 CYP1A2 (0.62) ABCG2ABCB1MAPTCYP19A1CYP17A1
SCHEMBL2155017 0.83 ABCG2 (0.56) ABCG2ABCB1MAPTCYP19A1CYP17A1
SCHEMBL2154752 0.83 ABCG2 (0.56) ABCG2ABCB1MAPTCYP19A1CYP17A1
SCHEMBL14727934 0.83 ABCG2 (0.61) ABCG2ABCB1MAPTCYP19A1CYP17A1
SCHEMBL14727932 0.82 MAPT (0.60) ABCG2ABCB1CCNE2CCNE1CDK2
SCHEMBL14727937 0.82 ABCG2 (0.53) ABCG2ABCB1MAPTCYP19A1CYP17A1
SCHEMBL14475594 0.81 CYP1A2 (0.64) ABCG2ABCB1MAPTCYP19A1CYP17A1
SCHEMBL2154983 0.81 ABCG2 (0.65) ABCG2ABCB1MAPTCYP19A1KDM4E
SCHEMBL20273715 0.81 ABCG2 (0.57) ABCG2ABCB1MAPTCYP19A1CYP17A1
SCHEMBL14475543 0.81 MAPT (0.59) ABCG2ABCB1CCNE2CCNE1CDK2

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 4 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
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO 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 ABCG2 1597/4885ABCB1 3803/4885CCNE2 4641/4885

“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.