SCHEMBL1615967

SCHEMBL1615967

Nc1nc2cccc(NCc3cc(F)cc(F)c3)c2cc1C1COc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.41
CCNE2 O96020 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
USP1 O94782 2/20 0.35
WDR48 Q8TAF3 2/20 0.35
NTRK1 P04629 1/20 0.34
GPR68 Q15743 1/20 0.33
DHFR P00374 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAOB P27338 1/20 0.32
REN P00797 1/20 0.32

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
SCHEMBL2897462 0.80
SCHEMBL1616364 0.78 CCNE2 (0.39) APPCCNE2CCNE1CDK2USP1
SCHEMBL3415080 0.67 PLAU (0.34) CYP19A1
SCHEMBL1616190 0.65 CCNE2 (0.42) APPCCNE2CCNE1CDK2USP1
SCHEMBL1615636 0.65 NTRK1 (0.39) APPCCNE2CCNE1CDK2NTRK1
SCHEMBL10353248 0.62 BACE1 (0.44) APPCCNE2CCNE1CDK2GPR68
SCHEMBL1615365 0.62 MAPT (0.41)
SCHEMBL2244187 0.61 NCF1 (0.34)
SCHEMBL2243239 0.61 NCF1 (0.34) APP
SCHEMBL19690937 0.61 MEN1 (0.37) APPCCNE1CDK2USP1WDR48

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C APP 258/4885CCNE2 1325/4885CCNE1 2409/4885

“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.