SCHEMBL16183512

SCHEMBL16183512

CNc1nc(-c2cncnc2)nc2ccc(-c3cccc(F)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.49
▸ CYP1A2 P05177 5/20 0.49
▸ CLK4 Q9HAZ1 4/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TRIM58 Q8NG06 1/20 0.49
▸ NT5E P21589 2/20 0.48
▸ ABCG2 Q9UNQ0 3/20 0.47
▸ PDE5A O76074 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ GBA1 P04062 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 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
SCHEMBL14475068 0.89 CYP1A2 (0.64) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL14727486 0.84 CYP1A2 (0.44) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL2155882 0.84 CYP1A2 (0.65) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL16183517 0.84 CYP1A2 (0.47) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL14475130 0.82 CYP1A2 (0.64) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL14474579 0.82 CYP1A2 (0.67) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL16183519 0.81 MAP4K4 (0.58) MAP4K4NT5EABCG2
SCHEMBL14475858 0.81 CLK4 (0.53) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL16183528 0.81 TRIM58 (0.46) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL16183520 0.81 TRIM58 (0.46) MAP4K4CYP1A2CLK4CYP3A4CYP2C19

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 MAP4K4 635/4885CYP1A2 2971/4885CLK4 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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