SCHEMBL16183878

SCHEMBL16183878

CNc1nc(-c2cccnc2)nc2c(F)c(-c3ccc(OC)c(F)c3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.46
▸ CYP11B2 P19099 6/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ CLK4 Q9HAZ1 3/20 0.46
▸ ABCB1 P08183 4/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ CYP17A1 P05093 3/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ CYP19A1 P11511 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL16184394 0.92 CYP3A4 (0.46) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL16183851 0.89 CYP3A4 (0.50) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL16183882 0.87 ABCG2 (0.47) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL16183879 0.87 CYP3A4 (0.48) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL16183854 0.87 CYP3A4 (0.52) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL16183877 0.86 CYP3A4 (0.47) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL16183852 0.86 CYP11B2 (0.52) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL16183883 0.86 CYP3A4 (0.49) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL16183875 0.85 CYP3A4 (0.48) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL16184396 0.85 CYP3A4 (0.46) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6

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 CYP11B1 2235/4885CYP11B2 2204/4885CYP3A4 4456/4885

“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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