SCHEMBL3268401

SCHEMBL3268401

COc1ccccc1CNc1ccc2cc(Nc3cccc(C)n3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 4/20 0.44
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C19 P33261 4/20 0.44
LMNA P02545 3/20 0.44
USP2 O75604 3/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CYP2C9 P11712 1/20 0.44
EGFR P00533 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL3266890 0.86 AURKA (0.48) HSD17B10NPSR1MAPTCYP1A2CYP3A4
SCHEMBL3268223 0.86 QRFPR (0.50) HSD17B10MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3266948 0.86 MAPT (0.46) HSD17B10MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3267065 0.85 MEN1 (0.53) HSD17B10MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3270942 0.85 JAK2 (0.49) HSD17B10MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3268605 0.84 CYP1A2 (0.46) HSD17B10MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3266911 0.83 AURKA (0.54) HSD17B10MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3271755 0.81 AURKA (0.48) HSD17B10MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3268656 0.81 CYP1A2 (0.45) HSD17B10NPSR1MAPTCYP1A2CYP3A4
SCHEMBL3267261 0.81 CYP1A2 (0.41) HSD17B10MAPTCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSD17B10 2604/4885NPSR1 49/4885MAPT 1853/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E HSD17B10 2604/4885NPSR1 49/4885MAPT 1853/4885

“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.