SCHEMBL3268014

SCHEMBL3268014

COc1ccccc1CNc1ccc2cc(NCc3cncn3C)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
TSHR P16473 4/20 0.43
CYP2C19 P33261 4/20 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
SCHEMBL3267065 0.87 MEN1 (0.53) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL3268616 0.81 PDGFRB (0.53) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL3266795 0.81 CYP2D6 (0.47) MAPTTHRBPKMNPC1RAB9A
SCHEMBL2904568 0.81 ACP1 (0.46) MAPTTHRBPKMNPC1RAB9A
SCHEMBL3275354 0.81 MAPT (0.43) MAPTTHRBPKMNPC1RAB9A
SCHEMBL3267015 0.81 MEN1 (0.47) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL3268321 0.80 CYP1A2 (0.53) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL3278686 0.79 QPCT (0.48) MAPTPKMNPC1RAB9AALDH1A1
SCHEMBL3267055 0.77 LMNA (0.53) MAPTTHRBNPC1RAB9AALDH1A1
SCHEMBL3273187 0.77 MEN1 (0.43) MAPTNPC1RAB9AALDH1A1LMNA

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 MAPT 1853/4885THRB 867/4885PKM 3435/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E MAPT 1853/4885THRB 867/4885PKM 3435/4885

“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.