SCHEMBL3267312

SCHEMBL3267312

Cc1ccc(CNc2ccc3cc(NCc4cccnc4)ccc3n2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
PABPC1 P11940 1/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
VNN1 O95497 1/20 0.43
LTA4H P09960 1/20 0.41
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 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
SCHEMBL3267196 0.88 TRPC5 (0.46) ALDH1A1MAPTKDM4ENPC1HPGD
SCHEMBL3266968 0.88 RAB9A (0.47) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3267224 0.87 MAPT (0.40) POLBALDH1A1MEN1MAPTKMT2A
SCHEMBL3266934 0.87 RAB9A (0.38) POLBL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL3267035 0.84 MEN1 (0.48) POLBL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL3267003 0.82 MAPT (0.47) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL3266446 0.80 TRPC5 (0.44) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL2903146 0.80 POLB (0.46) POLBL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL3271551 0.79 KMT2A (0.54) ALDH1A1MEN1MAPTKMT2APABPC1
SCHEMBL3266951 0.78 CYP3A4 (0.58) ALDH1A1MEN1MAPTKMT2APABPC1

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-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US claimed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 US claimed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 EP claimed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US claimed
WO-2009040290-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO claimed
US-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 US disclosed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 EP disclosed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040290-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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 (2 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-20090088451-A1 QUINOLINES HTR5A, HTR1A, HTR1E POLB 4479/4885L3MBTL1 3324/4885ALDH1A1 961/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E POLB 4479/4885L3MBTL1 3324/4885ALDH1A1 961/4885

“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.