SCHEMBL16184728

SCHEMBL16184728

COc1cc(-c2ccc(F)cc2)cc2c(N3CCCC3CCN(C)C)nc(-c3cccnc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 4/20 0.42
▸ MTOR P42345 1/20 0.37
▸ MAPT P10636 7/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ GAA P10253 3/20 0.36
▸ PDE2A O00408 5/20 0.36
▸ PDE10A Q9Y233 5/20 0.36
▸ PDE5A O76074 4/20 0.36
▸ PDE11A Q9HCR9 4/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNB3 Q05901 1/20 0.35

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
SCHEMBL16184793 0.95 GBA1 (0.42) GBA1MTORMAPTSMN1; SMN2KDM4E
SCHEMBL16184711 0.93 GBA1 (0.41) GBA1MTORMAPTSMN1; SMN2KDM4E
SCHEMBL16184729 0.93 GBA1 (0.44) GBA1MTORMAPTSMN1; SMN2KDM4E
SCHEMBL16184809 0.93 GBA1 (0.41) GBA1MTORMAPTSMN1; SMN2KDM4E
SCHEMBL16184759 0.91 GBA1 (0.40) GBA1MTORMAPTSMN1; SMN2KDM4E
SCHEMBL16184775 0.91 GBA1 (0.40) GBA1MTORMAPTSMN1; SMN2KDM4E
SCHEMBL16184693 0.90 GBA1 (0.43) GBA1MTORMAPTSMN1; SMN2KDM4E
SCHEMBL16184742 0.88 GBA1 (0.40) GBA1MTORMAPTSMN1; SMN2KDM4E
SCHEMBL16184792 0.88 GBA1 (0.44) GBA1MTORMAPTSMN1; SMN2KDM4E
SCHEMBL16184710 0.86 GBA1 (0.43) GBA1MTORMAPTSMN1; SMN2KDM4E

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 GBA1 1316/4885MTOR 921/4885MAPT 509/4885

“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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