SCHEMBL16183246

SCHEMBL16183246

CNc1nc(-c2ccccn2)nc2ccc(-c3ccc(F)cc3F)c(F)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 4/20 0.45
▸ METAP2 P50579 3/20 0.45
▸ FFAR1 O14842 5/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ ABCB1 P08183 2/20 0.42
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CBFB Q13951 1/20 0.40
▸ NPC1 O15118 2/20 0.39

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
SCHEMBL16183250 0.88 GRM5 (0.44) METAP1METAP2RAB9AABCB1ABCG2
SCHEMBL16183248 0.86 METAP1 (0.43) METAP1METAP2FFAR1RAB9AMAPT
SCHEMBL14474740 0.85 NPC1 (0.42) RAB9ANPC1
SCHEMBL14474140 0.84 LMNA (0.45) METAP1METAP2FFAR1RAB9AABCB1
SCHEMBL16183249 0.83 METAP2 (0.44) METAP1METAP2FFAR1RAB9AABCB1
SCHEMBL16184321 0.79 ALOX5AP (0.40) METAP1METAP2RAB9AMAPTMAPK1
SCHEMBL16183531 0.79 CYP1A2 (0.52) RAB9AABCB1ABCG2MAPTMAPK1
SCHEMBL16184325 0.78 NPC1 (0.42) RAB9AKDM4ENPC1
SCHEMBL16184331 0.76 NPC1 (0.40) METAP1METAP2RAB9AMAPTKMT2A
SCHEMBL16184318 0.75 NPC1 (0.41) RAB9AMAPTMAPK1KDM4EHTT

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 METAP1 1661/4885METAP2 2043/4885FFAR1 4087/4885

“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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