SCHEMBL16183538

SCHEMBL16183538

CNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCC[C@H](C)OC)c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.50
▸ CYP3A4 P08684 5/20 0.50
▸ CLK4 Q9HAZ1 5/20 0.50
▸ CYP2D6 P10635 4/20 0.50
▸ CYP2C19 P33261 4/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ ABCG2 Q9UNQ0 5/20 0.48
▸ GBA1 P04062 6/20 0.48
▸ MAPT P10636 2/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ LMNA P02545 4/20 0.45
▸ USP2 O75604 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PDE5A O76074 2/20 0.43

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
SCHEMBL16183537 1.00 CYP1A2 (0.50) CYP1A2CYP3A4CLK4CYP2D6CYP2C19
SCHEMBL14727800 1.00 CYP1A2 (0.50) CYP1A2CYP3A4CLK4CYP2D6CYP2C19
SCHEMBL16183535 0.90 CYP1A2 (0.51) CYP1A2CYP3A4CLK4CYP2D6CYP2C19
SCHEMBL16183534 0.90 CYP1A2 (0.51) CYP1A2CYP3A4CLK4CYP2D6CYP2C19
SCHEMBL2155634 0.88 CYP1A2 (0.55) CYP1A2CYP3A4CLK4CYP2D6CYP2C19
SCHEMBL14474102 0.88 CYP1A2 (0.60) CYP1A2CYP3A4CLK4CYP2D6CYP2C19
SCHEMBL2155193 0.87 CYP1A2 (0.56) CYP1A2CYP3A4CLK4CYP2D6CYP2C19
SCHEMBL18023053 0.86 CYP1A2 (0.55) CYP1A2CYP3A4CLK4CYP2D6CYP2C19
SCHEMBL14474083 0.85 GBA1 (0.54) CYP1A2CYP3A4CLK4CYP2D6CYP2C19
SCHEMBL14731294 0.85 CYP1A2 (0.54) CYP1A2CYP3A4CLK4CYP2D6CYP2C19

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 CYP1A2 2971/4885CYP3A4 4456/4885CLK4 1084/4885

“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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