SCHEMBL16125092

SCHEMBL16125092

[2H]c1cnc2ccc(Nc3ccccc3)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ LYN P07948 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ MARK3 P27448 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ EPHA2 P29317 1/20 0.46

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
SCHEMBL20305884 0.87 MAPT (0.52) AURKAMAPTRAB9ACHEK1IKBKB
SCHEMBL16523087 0.76 PDGFRB (0.56) AURKAMAPTRAB9ACHEK1IKBKB
SCHEMBL27956694 0.73 PDGFRB (0.66) AURKAMAPTRAB9ACHEK1IKBKB
SCHEMBL20306100 0.72 PDGFRB (0.50) AURKAMAPTRAB9ACHEK1IKBKB
SCHEMBL16420041 0.71 ADRA2A (0.45) MAPTRAB9ANPC1MAPK1MEN1
SCHEMBL5759348 0.71 MAPK1 (0.53) MAPTRAB9APIM1MAPK1MEN1
SCHEMBL17676271 0.69 PDGFRB (0.46) AURKAMAPTRAB9ACHEK1IKBKB
SCHEMBL16125091 0.69 PDGFRB (0.46) AURKAMAPTRAB9ACHEK1IKBKB
SCHEMBL16125096 0.69 ALDH1A1 (0.51) AURKAMAPTRAB9ANPC1MAPK1
SCHEMBL3637143 0.68 PIK3CA (0.55) RAB9ANPC1PIM1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20140288053-A1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES FGFR1, FGFR2, FGFR4 AURKA 13/4885MAPT 1657/4885RAB9A 3687/4885
US-20160235744-A1 SUBSTITUTED PYRIDO[2,3-b]PYRAZINES AS FGFR KINASE INHIBITORS FGFR1, FGFR2, FGFR3 AURKA 35/4885MAPT 1590/4885RAB9A 3284/4885

“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.

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