SCHEMBL14905504

SCHEMBL14905504

COc1cc(Nc2ccc3ncc(-c4ccncc4)cc3n2)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.55
PDGFRA P16234 7/20 0.55
FGFR3 P22607 4/20 0.53
KDR P35968 4/20 0.53
FGFR1 P11362 3/20 0.53
FGFR2 P21802 3/20 0.53
FGFR4 P22455 3/20 0.53
MAPK1 P28482 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL14905514 0.87 FGFR3 (0.52) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL16134028 0.81 PDGFRB (0.67) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL14905351 0.81 FGFR3 (0.67) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL14901221 0.81 MAPK1 (0.53) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL14905515 0.79 FGFR3 (0.58) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL14905222 0.79 FGFR3 (0.57) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL15884571 0.76 PDGFRB (0.54) PDGFRBPDGFRAFGFR3KDRMAPK1
SCHEMBL14906654 0.75 PDGFRB (0.62) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL14905405 0.74 PDGFRB (0.60) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL15256286 0.73 PDGFRB (0.66) PDGFRBPDGFRAKDRMAPK1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776436-B1 NEW COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2019-03-13 EP disclosed
US-9757364-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2017-09-12 US disclosed
US-20170105978-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2017-04-20 US disclosed
US-9527844-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-12-27 US disclosed
US-9309241-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2016-04-12 US disclosed
US-20150057293-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-26 US disclosed
WO-2013061077-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-02 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-20150057293-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 PDGFRB 3569/4885PDGFRA 3281/4885FGFR3 2292/4885
US-20170105978-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 PDGFRB 3569/4885PDGFRA 3281/4885FGFR3 2292/4885

“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.