SCHEMBL16184487

SCHEMBL16184487

COc1cc(-c2ccccc2F)cc2c(NC(C)(C)C)nc(-c3cccnc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ CCNE2 O96020 3/20 0.43
▸ CCNE1 P24864 3/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CCND1 P24385 2/20 0.43
▸ KMT2A Q03164 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL16184571 0.93 CCNE2 (0.42) ABCB1ABCG2CCNE2CCNE1CDK2
SCHEMBL16184598 0.91 ABCG2 (0.42) ABCB1ABCG2CCNE2CCNE1CDK2
SCHEMBL16184626 0.91 ABCG2 (0.42) ABCB1ABCG2CCNE2CCNE1CDK2
SCHEMBL16183565 0.89 CYP1A2 (0.50) ABCB1ABCG2KMT2ALMNAMEN1
SCHEMBL16184654 0.87 ABCG2 (0.46) ABCB1ABCG2CCNE2CCNE1CDK2
SCHEMBL14474165 0.87 CCNE2 (0.49) ABCB1ABCG2CCNE2CCNE1CDK2
SCHEMBL16184471 0.87 USP2 (0.48) ABCB1ABCG2KMT2ALMNAMEN1
SCHEMBL16184472 0.87 KMT2A (0.45) ABCB1ABCG2KMT2ALMNAMEN1
SCHEMBL16184682 0.87 CCNE2 (0.48) ABCB1ABCG2CCNE2CCNE1CDK2
SCHEMBL16184485 0.86 USP2 (0.46) ABCB1ABCG2KMT2ALMNAMEN1

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 ABCB1 3803/4885ABCG2 1597/4885CCNE2 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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