SCHEMBL16184654

SCHEMBL16184654

COc1cc(-c2cc(F)cc(F)c2)cc2c(NC(C)(C)C)nc(-c3cccnc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.46
▸ ABCB1 P08183 2/20 0.46
▸ CCNE2 O96020 2/20 0.45
▸ CDK4 P11802 2/20 0.45
▸ CCND1 P24385 2/20 0.45
▸ CCNE1 P24864 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ KMT2A Q03164 5/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ USP2 O75604 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41

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
SCHEMBL16184516 0.94 CCNE2 (0.46) ABCG2ABCB1CCNE2CDK4CCND1
SCHEMBL14474165 0.94 CCNE2 (0.49) ABCG2ABCB1CCNE2CDK4CCND1
SCHEMBL16184682 0.89 CCNE2 (0.48) ABCG2ABCB1CCNE2CDK4CCND1
SCHEMBL16183506 0.89 CYP1A2 (0.50) ABCG2ABCB1KMT2ACYP1A2CYP3A4
SCHEMBL16184626 0.88 ABCG2 (0.42) ABCG2ABCB1CCNE2CDK4CCND1
SCHEMBL16184598 0.88 ABCG2 (0.42) ABCG2ABCB1CCNE2CDK4CCND1
SCHEMBL16184487 0.87 ABCB1 (0.43) ABCG2ABCB1CCNE2CDK4CCND1
SCHEMBL16184639 0.86 KMT2A (0.47) ABCG2ABCB1KMT2ACYP1A2CYP3A4
SCHEMBL16184636 0.86 USP2 (0.48) ABCG2ABCB1KMT2ACYP1A2CYP3A4
SCHEMBL16184571 0.86 CCNE2 (0.42) ABCG2ABCB1CCNE2CDK4CCND1

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 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.

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