SCHEMBL16184867

SCHEMBL16184867

CCOc1cc(-c2ccc(C#N)cc2)cc2c(NC)nc(-c3cccnc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP11B2 P19099 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CYP11B1 P15538 4/20 0.40
▸ CYP19A1 P11511 2/20 0.40

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
SCHEMBL16184856 0.92 CYP1A2 (0.48) ABCG2HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL16183571 0.90 ABCG2 (0.47) ABCG2HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL16184859 0.89 HSD17B10 (0.52) ABCG2HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL16184853 0.89 HSD17B10 (0.47) ABCG2HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL16184889 0.87 HSD17B10 (0.43) ABCG2HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL16184892 0.87 CYP1A2 (0.41) ABCG2HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL16184891 0.87 CYP11B1 (0.49) HSD17B10CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL16184857 0.87 CYP19A1 (0.47) ABCG2HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL16184896 0.86 HSD17B10 (0.49) ABCG2HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL16184854 0.85 GRM5 (0.46) ABCG2HSD17B10CYP1A2CYP3A4CYP2C19

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 1597/4885HSD17B10 2670/4885CYP1A2 2971/4885

“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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