SCHEMBL3267116

SCHEMBL3267116

Cc1ccc(CNc2ccc3cc(Nc4cccc(C(F)(F)F)c4)ccc3n2)o1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
TP53 P04637 5/20 0.44
SLC2A1 P11166 1/20 0.43
IDH2 P48735 3/20 0.40
THRB P10828 3/20 0.40
LMNA P02545 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APP P05067 1/20 0.40
KIF11 P52732 2/20 0.39
CCR2 P41597 1/20 0.38
CCR5 P51681 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAPGEF4 Q8WZA2 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
SCHEMBL3267054 0.83 MAPK14 (0.42) MAPTTP53LMNARXFP1SMN1; SMN2
SCHEMBL3266934 0.82 RAB9A (0.38) MAPTLMNAKIF11SMN1; SMN2
SCHEMBL3268217 0.78 SLC2A1 (0.47) MAPTTP53SLC2A1IDH2THRB
SCHEMBL3267196 0.77 TRPC5 (0.46) MAPTTP53SMN1; SMN2
SCHEMBL10282666 0.76 APP (0.64) MAPTSLC2A1IDH2LMNAAPP
SCHEMBL3271133 0.75 KCNN3 (0.39) MAPTLMNASMN1; SMN2
SCHEMBL3266446 0.75 TRPC5 (0.44) MAPTTP53SMN1; SMN2
SCHEMBL3267063 0.74 NPC1 (0.43) LMNASMN1; SMN2
SCHEMBL3267224 0.74 MAPT (0.40) MAPTTP53LMNASMN1; SMN2
SCHEMBL1391653 0.73 LMNA (0.52) MAPTSLC2A1IDH2LMNAAPP

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 1853/4885TP53 4670/4885SLC2A1 2012/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E MAPT 1853/4885TP53 4670/4885SLC2A1 2012/4885

“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.