SCHEMBL16185136

SCHEMBL16185136

CCOc1cc(-c2cccc(F)c2)cc2c(NC)nc(-c3cccnn3)nc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.44
▸ MAP4K4 O95819 2/20 0.40
▸ CHRNA7 P36544 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ EGFR P00533 1/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ KIT P10721 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL16185165 0.93 GRM5 (0.36) GRM5MAP4K4CHRNA7MAPTLMNA
SCHEMBL16185141 0.92 CHRNA7 (0.42) GRM5CHRNA7MAPTLMNAEGFR
SCHEMBL16185129 0.90 MAP4K4 (0.40) MAP4K4LMNAKITIKBKBCHUK
SCHEMBL16185134 0.89 FFAR1 (0.47) GRM5MAP4K4LMNAFFAR1
SCHEMBL16185148 0.87 CHRNA7 (0.37) GRM5CHRNA7MAPTLMNAFFAR1
SCHEMBL16185155 0.87 CHRNA7 (0.37) GRM5CHRNA7MAPTLMNAFBP1
SCHEMBL16185138 0.86 GRM5 (0.48) GRM5MAP4K4CHRNA7MAPTLMNA
SCHEMBL14474675 0.85 KLKB1 (0.34) GRM5MAP4K4CHRNA7LMNAFFAR1
SCHEMBL14475257 0.85 GRM5 (0.35) GRM5CHRNA7LMNAFFAR1EGFR
SCHEMBL16185137 0.85 GRM5 (0.46) GRM5MAP4K4CHRNA7MAPTLMNA

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 GRM5 37/4885MAP4K4 635/4885CHRNA7 349/4885

“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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