SCHEMBL16183558

SCHEMBL16183558

CNc1nc(-c2cccnc2)nc2cc(Cl)c(Br)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.63
▸ CYP3A4 P08684 4/20 0.63
▸ CLK4 Q9HAZ1 3/20 0.63
▸ CYP2C19 P33261 3/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ CYP2D6 P10635 2/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ PDE5A O76074 9/20 0.49
▸ LATS1 O95835 1/20 0.47
▸ LATS2 Q9NRM7 1/20 0.47
▸ TSHR P16473 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ GBA1 P04062 4/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2155892 0.88 CYP1A2 (0.63) CYP1A2CYP3A4CLK4CYP2C19HSD17B10
SCHEMBL14359105 0.87 CYP1A2 (0.62) CYP1A2CYP3A4CLK4CYP2C19HSD17B10
SCHEMBL14727653 0.86 CYP1A2 (0.64) CYP1A2CYP3A4CLK4CYP2C19HSD17B10
SCHEMBL14358391 0.85 CYP1A2 (0.63) CYP1A2CYP3A4CLK4CYP2C19HSD17B10
SCHEMBL14359091 0.85 CYP1A2 (0.70) CYP1A2CYP3A4CLK4CYP2C19HSD17B10
SCHEMBL2154895 0.84 CYP1A2 (0.71) CYP1A2CYP3A4CLK4CYP2C19HSD17B10
SCHEMBL16183514 0.83 CYP1A2 (0.60) CYP1A2CYP3A4CLK4CYP2C19HSD17B10
SCHEMBL16183496 0.82 CYP1A2 (0.59) CYP1A2CYP3A4CLK4CYP2C19HSD17B10
SCHEMBL14475829 0.81 CYP1A2 (0.64) CYP1A2CYP3A4CLK4CYP2C19HSD17B10
SCHEMBL16183510 0.80 CYP1A2 (0.56) CYP1A2CYP3A4CLK4CYP2C19HSD17B10

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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