SCHEMBL3267035

SCHEMBL3267035

Cc1ccc(CNc2cc(N)c3cc(NCc4cccnc4)ccc3n2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.42
PABPC1 P11940 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
LTA4H P09960 1/20 0.41
DHFR P00374 1/20 0.40
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38

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
SCHEMBL3267024 0.90 DHFR (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL3267312 0.84 POLB (0.49) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL3268137 0.79 CYP1A2 (0.47) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL2903146 0.77 POLB (0.46) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL3268743 0.76 NTRK1 (0.48) MEN1KMT2AALDH1A1MAPTPABPC1
SCHEMBL3266968 0.75 RAB9A (0.47) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL3267196 0.74 TRPC5 (0.46) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3267224 0.72 MAPT (0.40) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL2902528 0.71 RAB9A (0.40) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL3266934 0.71 RAB9A (0.38) MEN1KMT2APOLBL3MBTL1ALDH1A1

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 MEN1 933/4885KMT2A 817/4885POLB 4479/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E MEN1 933/4885KMT2A 817/4885POLB 4479/4885

“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.