SCHEMBL16184811

SCHEMBL16184811

COc1cc(-c2ccc(F)c(F)c2)cc2c(N3CCOCC3)nc(-c3cccnc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ GBA1 P04062 1/20 0.49
▸ PIK3CA P42336 6/20 0.48
▸ MTOR P42345 4/20 0.46
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA5 P30532 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41

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
SCHEMBL14475253 0.92 MAPT (0.48) ALDH1A1HTTSMN1; SMN2GBA1GAA
SCHEMBL16184051 0.92 MAPT (0.46) ALDH1A1HTTSMN1; SMN2GBA1GAA
SCHEMBL16184810 0.91 MAPT (0.50) ALDH1A1HTTSMN1; SMN2GBA1GAA
SCHEMBL16184730 0.91 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2GBA1PIK3CA
SCHEMBL16184813 0.90 CYP1A2 (0.52) ALDH1A1HTTSMN1; SMN2GBA1GAA
SCHEMBL16184713 0.90 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2GBA1PIK3CA
SCHEMBL16184795 0.90 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2GBA1PIK3CA
SCHEMBL16184777 0.88 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2GBA1PIK3CA
SCHEMBL16184696 0.88 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2GBA1PIK3CA
SCHEMBL14475243 0.87 MAPT (0.43) ALDH1A1SMN1; SMN2GAAMAPTCYP1A2

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 ALDH1A1 1687/4885HTT 1176/4885SMN1; SMN2 3987/4885

“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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