SCHEMBL16183454

SCHEMBL16183454

CNc1nc(Cl)nc2ccc(-c3cccnc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.53
CYP1A2 P05177 8/20 0.53
CYP3A4 P08684 8/20 0.53
CLK4 Q9HAZ1 8/20 0.53
HSD17B10 Q99714 5/20 0.53
CYP2D6 P10635 5/20 0.53
CYP2C19 P33261 4/20 0.53
CYP2C9 P11712 2/20 0.53
CCNE2 O96020 2/20 0.53
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
LMNA P02545 5/20 0.51
HIF1A Q16665 5/20 0.51
MAPK1 P28482 4/20 0.51
RAF1 P04049 1/20 0.51
ALDH1A1 P00352 4/20 0.48
USP2 O75604 2/20 0.48
MAP4K4 O95819 2/20 0.48

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
SCHEMBL14358613 0.90 CLK4 (0.53) TRIM58CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL14475902 0.85 CYP1A2 (0.73) TRIM58CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL14475876 0.83 CYP1A2 (0.65) TRIM58CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL14475855 0.82 CYP1A2 (0.64) TRIM58CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL14475829 0.82 CYP1A2 (0.64) TRIM58CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL14475877 0.82 CLK4 (0.64) TRIM58CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL14475073 0.82 CYP1A2 (0.76) TRIM58CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL14475835 0.82 CYP1A2 (0.76) TRIM58CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL14475161 0.80 CYP1A2 (0.72) TRIM58CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL14727488 0.79 CYP1A2 (0.64) TRIM58CYP1A2CYP3A4CLK4HSD17B10

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 3305/4885CYP1A2 2971/4885CYP3A4 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.