SCHEMBL14474191

SCHEMBL14474191

CCOc1cc(-c2cccc(F)c2)cc2c(NC)nc(-c3ccncn3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.44
▸ MAP4K4 O95819 2/20 0.40
▸ CYP3A4 P08684 2/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SCN9A Q15858 3/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL16185166 0.92 CHRNA7 (0.36) GRM5MAP4K4CHRNA7LMNAMAPT
SCHEMBL16185131 0.91 SCN9A (0.42) MAP4K4CYP3A4LMNASCN9AKIT
SCHEMBL16185142 0.91 CHRNA7 (0.42) MAP4K4CHRNA7LMNAMAPTSCN9A
SCHEMBL16185134 0.89 FFAR1 (0.47) GRM5MAP4K4LMNAFFAR1
SCHEMBL16185137 0.87 GRM5 (0.46) GRM5MAP4K4CHRNA7LMNAMAPT
SCHEMBL16185138 0.86 GRM5 (0.48) GRM5MAP4K4CYP3A4CHRNA7CYP17A1
SCHEMBL16185149 0.86 CHRNA7 (0.38) GRM5MAP4K4CHRNA7LMNAMAPT
SCHEMBL16185156 0.86 CHRNA7 (0.38) GRM5MAP4K4CYP3A4CHRNA7LMNA
SCHEMBL16185140 0.86 GRM5 (0.48) GRM5MAP4K4CYP3A4CHRNA7LMNA
SCHEMBL14474686 0.85 SCN9A (0.37) GRM5MAP4K4CYP3A4CHRNA7LMNA

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 3 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
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO 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 GRM5 37/4885MAP4K4 635/4885CYP3A4 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.

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