SCHEMBL16186441

SCHEMBL16186441

COc1cc(-c2cc(F)cc(F)c2)cc2c(NC3CCCNC3=O)nc(-c3cccnc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 14/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ABCB1 P08183 2/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ GMNN O75496 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36

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
SCHEMBL16186438 0.96 GBA1 (0.40) GBA1ADORA2AADORA1ABCB1ABCG2
SCHEMBL16186403 0.95 GBA1 (0.39) GBA1ADORA2AADORA1ABCB1ABCG2
SCHEMBL14474225 0.92 GBA1 (0.38) GBA1ADORA2AADORA1ABCB1ABCG2
SCHEMBL16186408 0.91 KCNH2 (0.38) GBA1ADORA2AADORA1ABCB1ABCG2
SCHEMBL16186440 0.91 GBA1 (0.37) GBA1ADORA2AADORA1ABCB1ABCG2
SCHEMBL16186437 0.90 GBA1 (0.41) GBA1ADORA2AADORA1ABCB1ABCG2
SCHEMBL16186404 0.89 GBA1 (0.39) GBA1ADORA2AADORA1DYRK1A
SCHEMBL16184648 0.86 GBA1 (0.53) GBA1ABCB1ABCG2LMNACYP1A2
SCHEMBL16184646 0.85 GBA1 (0.55) GBA1ABCB1ABCG2
SCHEMBL16183506 0.81 CYP1A2 (0.50) ABCB1ABCG2NPC1GMNNLMNA

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 1 patent. 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

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 GBA1 1316/4885ADORA2A 1138/4885ADORA1 1730/4885

“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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