SCHEMBL16184682

SCHEMBL16184682

COc1cc(-c2ccc(F)c(F)c2)cc2c(NC(C)(C)C)nc(-c3cccnc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 3/20 0.48
▸ CCNE1 P24864 3/20 0.48
▸ CDK2 P24941 3/20 0.48
▸ CDK4 P11802 2/20 0.48
▸ CCND1 P24385 2/20 0.48
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA5 P30532 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ ABCB1 P08183 7/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ ABCC1 P33527 4/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ USP2 O75604 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39

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
SCHEMBL14474165 0.91 CCNE2 (0.49) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL16184516 0.90 CCNE2 (0.46) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL16183566 0.89 CYP1A2 (0.47) CHRNB2CHRNA5CHRNA4ABCB1ABCG2
SCHEMBL16184654 0.89 ABCG2 (0.46) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL16184626 0.87 ABCG2 (0.42) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL16184669 0.87 USP2 (0.46) CHRNB2CHRNA5CHRNA4ABCB1ABCG2
SCHEMBL16184487 0.87 ABCB1 (0.43) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL16184665 0.87 RXFP1 (0.43) CHRNB2CHRNA5CHRNA4ABCB1ABCG2
SCHEMBL16184679 0.86 USP2 (0.44) CHRNB2CHRNA5CHRNA4ABCB1ABCG2
SCHEMBL16184666 0.85 ABCB1 (0.48) CHRNB2CHRNA5CHRNA4ABCB1ABCG2

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 CCNE2 4641/4885CCNE1 4118/4885CDK2 2873/4885

“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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