SCHEMBL16183528

SCHEMBL16183528

CNc1nc(-c2cccnc2C)nc2ccc(-c3cccc(F)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRIM58 Q8NG06 1/20 0.46
▸ MAP4K4 O95819 3/20 0.44
▸ CYP1A2 P05177 8/20 0.43
▸ CYP2D6 P10635 8/20 0.43
▸ CYP2C19 P33261 8/20 0.43
▸ CYP3A4 P08684 7/20 0.43
▸ CLK4 Q9HAZ1 5/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ USP2 O75604 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NT5E P21589 2/20 0.43
▸ ABCG2 Q9UNQ0 3/20 0.42
▸ CYP2C9 P11712 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 1/20 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
SCHEMBL16183520 0.91 TRIM58 (0.46) TRIM58MAP4K4CYP1A2CYP2D6CYP2C19
SCHEMBL14727819 0.87 CYP1A2 (0.44) TRIM58CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL14727818 0.86 CYP1A2 (0.45) TRIM58MAP4K4CYP1A2CYP2D6CYP2C19
SCHEMBL14475068 0.82 CYP1A2 (0.64) CYP1A2CYP2D6CYP2C19CYP3A4CLK4
SCHEMBL16183527 0.81 CYP1A2 (0.49) TRIM58CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL16183512 0.81 MAP4K4 (0.49) TRIM58MAP4K4CYP1A2CYP2D6CYP2C19
SCHEMBL14475070 0.79 CYP1A2 (0.54) TRIM58CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL16183517 0.79 CYP1A2 (0.47) TRIM58MAP4K4CYP1A2CYP2D6CYP2C19
SCHEMBL14727814 0.78 DHODH (0.43) TRIM58CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL14727810 0.77 CYP1A2 (0.42) TRIM58MAP4K4CYP1A2CYP2D6CYP2C19

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 TRIM58 3305/4885MAP4K4 635/4885CYP1A2 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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