SCHEMBL16125096

SCHEMBL16125096

O=C(O)c1cnc2ccc(Nc3ccccc3)nc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ HCAR3 P49019 1/20 0.50
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ PDGFRB P09619 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ PIK3CA P42336 11/20 0.45
▸ MAPK8 P45983 7/20 0.44
▸ MAPK9 P45984 7/20 0.44
▸ MAPK10 P53779 7/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 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
SCHEMBL3637143 0.82 PIK3CA (0.55) RAB9ANPC1PDGFRBPDGFRAPIK3CA
SCHEMBL20306100 0.78 PDGFRB (0.50) HCAR3RAB9ANPC1PDGFRBPDGFRA
SCHEMBL5759397 0.77 NPC1 (0.57) HCAR3RAB9ANPC1PIK3CAMAPK8
SCHEMBL3638703 0.77 PIK3CA (0.75) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5759348 0.77 MAPK1 (0.53) RAB9APDGFRBPDGFRAPIK3CAMAPK8
SCHEMBL4340922 0.75 MAPK1 (0.53) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL16125091 0.74 PDGFRB (0.46) RAB9ANPC1PDGFRBPDGFRAPIK3CA
SCHEMBL17676271 0.74 PDGFRB (0.46) ALDH1A1RAB9ANPC1PDGFRBPDGFRA
SCHEMBL4697024 0.74 MAPK1 (0.56) PDGFRBPDGFRAPIK3CAMAPK8MAPK9
SCHEMBL5757875 0.74 MAPK1 (0.61) RAB9ANPC1PIK3CAMAPK8MAPK9

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-10004733-B2 — — 2018-06-26 — — US disclosed
US-10004733-B2 — — 2018-06-26 — — US disclosed
US-20160235744-A1 SUBSTITUTED PYRIDO[2,3-b]PYRAZINES AS FGFR KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2016-08-18 — — US disclosed
US-9309242-B2 Substituted pyrido[2,3-b]pyrazines as FGFR kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-04-12 — — US disclosed
US-20140288053-A1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LIMITED (GB) 2014-09-25 — — US 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 (3 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-10004733-B2 — SDHB, SDHA, NDUFS5 ALDH1A1 205/4885HPGD 217/4885ALOX15 1315/4885
US-20140288053-A1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES FGFR1, FGFR2, FGFR4 ALDH1A1 1576/4885HPGD 1396/4885ALOX15 2256/4885
US-20160235744-A1 SUBSTITUTED PYRIDO[2,3-b]PYRAZINES AS FGFR KINASE INHIBITORS FGFR1, FGFR2, FGFR3 ALDH1A1 2281/4885HPGD 1710/4885ALOX15 2173/4885

“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.

Send feedback