SCHEMBL3268616

SCHEMBL3268616

COc1ccccc1CNc1ccc2cc(NCc3ccccc3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.53
PDGFRA P16234 2/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 5/20 0.47
GAA P10253 2/20 0.47
KDM1A O60341 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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 0.94 MEN1 (0.53) MEN1KMT2AHSD17B10GAAKDM1A
SCHEMBL3267055 0.91 LMNA (0.53) MEN1KMT2AHSD17B10GAALMNA
SCHEMBL3268321 0.90 CYP1A2 (0.53) PDGFRBPDGFRAMEN1KMT2AHSD17B10
SCHEMBL3267015 0.88 MEN1 (0.47) MEN1KMT2AHSD17B10GAAKDM1A
SCHEMBL3266795 0.86 CYP2D6 (0.47) MEN1KMT2AHSD17B10GAAKDM1A
SCHEMBL3266946 0.85 CYP1A2 (0.46) PDGFRBPDGFRAMEN1KMT2AHSD17B10
SCHEMBL3273137 0.85 LMNA (0.41) PDGFRBPDGFRAMEN1KMT2AHSD17B10
SCHEMBL3266971 0.85 CYP1A2 (0.47) PDGFRBPDGFRAMEN1KMT2AHSD17B10
SCHEMBL3267038 0.84 LMNA (0.45) MEN1KMT2AHSD17B10GAALMNA
SCHEMBL3267190 0.84 DHFR (0.50) PDGFRBPDGFRAMEN1KMT2AALDH1A1

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 PDGFRB 777/4885PDGFRA 752/4885MEN1 933/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E PDGFRB 777/4885PDGFRA 752/4885MEN1 933/4885

“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.