SCHEMBL3268429

SCHEMBL3268429

COc1cc(F)ccc1CNc1cc(N)c2cc(NCc3ccccc3)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.50
KCNH2 Q12809 1/20 0.48
NTRK1 P04629 6/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3267029 0.94 DHFR (0.52) DHFRNTRK1LMNA
SCHEMBL3267162 0.93 NTRK1 (0.52) DHFRKCNH2NTRK1PDGFRBPDGFRA
SCHEMBL3267190 0.91 DHFR (0.50) DHFRPDGFRBPDGFRA
SCHEMBL3271309 0.87 DHFR (0.53) DHFRLMNA
SCHEMBL3273799 0.85 KCNH2 (0.46) DHFRKCNH2NTRK1PDGFRBPDGFRA
SCHEMBL3268743 0.84 NTRK1 (0.48) DHFRKCNH2NTRK1
SCHEMBL3268137 0.83 CYP1A2 (0.47) DHFRLMNA
SCHEMBL8509984 0.81 KCNH2 (0.49) KCNH2NTRK1LMNA
SCHEMBL3273200 0.78 ALDH1A1 (0.42) DHFRKCNH2NTRK1
SCHEMBL3268616 0.75 PDGFRB (0.53) PDGFRBPDGFRALMNAGAA

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 DHFR 499/4885KCNH2 524/4885NTRK1 529/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E DHFR 499/4885KCNH2 524/4885NTRK1 529/4885

“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.