SCHEMBL3271663

SCHEMBL3271663

COc1ccccc1CNc1ccc2cc(Nc3nnc(C4CC4)o3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.41
CYP1A2 P05177 7/20 0.39
CYP3A4 P08684 7/20 0.39
CYP2D6 P10635 7/20 0.39
CYP2C19 P33261 7/20 0.39
HSD17B10 Q99714 7/20 0.39
TSHR P16473 5/20 0.39
MAPK1 P28482 5/20 0.39
ALOX15 P16050 4/20 0.39
USP2 O75604 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NTRK1 P04629 1/20 0.39
ATM Q13315 1/20 0.38
CYP2C9 P11712 4/20 0.38
CLK4 Q9HAZ1 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 5/20 0.37

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
SCHEMBL3267261 0.86 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3267263 0.83 EPHX2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3268466 0.79 MEN1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3267065 0.79 MEN1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3268656 0.79 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3268497 0.79 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3266962 0.78 CYP2D6 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3266911 0.77 AURKA (0.54) IGF1RCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3268605 0.76 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3266890 0.76 AURKA (0.48) IGF1RCYP1A2CYP3A4CYP2D6CYP2C19

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 IGF1R 2393/4885CYP1A2 161/4885CYP3A4 329/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E IGF1R 2393/4885CYP1A2 161/4885CYP3A4 329/4885

“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.