SCHEMBL3279702

SCHEMBL3279702

COc1ccccc1CNc1ccc2cc(Nc3nc(N4CCCCC4)no3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALOX15 P16050 4/20 0.48
MAPK1 P28482 4/20 0.48
TSHR P16473 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
GALR2 O43603 1/20 0.41
GALR1 P47211 1/20 0.41
HTR1A P08908 5/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3268656 0.84 CYP1A2 (0.45) MAPTALOX15MAPK1TSHRKDM4E
SCHEMBL3268605 0.78 CYP1A2 (0.46) MAPTALOX15MAPK1TSHRKDM4E
SCHEMBL3267065 0.77 MEN1 (0.53) MAPTALOX15MAPK1TSHRKDM4E
SCHEMBL3267261 0.77 CYP1A2 (0.41) MAPTALOX15MAPK1TSHRKDM4E
SCHEMBL3268497 0.77 CYP1A2 (0.48) MAPTALOX15MAPK1TSHRKDM4E
SCHEMBL3266911 0.75 AURKA (0.54) MAPTALOX15MAPK1TSHRKDM4E
SCHEMBL3271663 0.75 IGF1R (0.41) MAPTALOX15MAPK1TSHRKDM4E
SCHEMBL3266890 0.74 AURKA (0.48) MAPTALOX15MAPK1TSHRALDH1A1
SCHEMBL3268223 0.74 QRFPR (0.50) MAPTALOX15MAPK1TSHRKDM4E
SCHEMBL3268449 0.74 CYP2D6 (0.43) MAPTALOX15MAPK1TSHRKDM4E

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 1853/4885ALOX15 1599/4885MAPK1 2462/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E MAPT 1853/4885ALOX15 1599/4885MAPK1 2462/4885

“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.