SCHEMBL4035154

SCHEMBL4035154

c1cc2c(Nc3ccc4[nH]ncc4c3)nnc(Nc3ccc4[nH]ncc4c3)c2s1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 3/20 0.55
▸ ROCK2 O75116 10/20 0.52
▸ EGFR P00533 3/20 0.49
▸ ROCK1 Q13464 4/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ RET P07949 1/20 0.46
▸ MAPKAPK2 P49137 1/20 0.45
▸ CDC7 O00311 1/20 0.44

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
SCHEMBL30611453 0.79 MKNK1 (0.69) MKNK1ROCK2EGFRFLT1RET
SCHEMBL30611478 0.79 EGFR (0.69) MKNK1ROCK2EGFRROCK1FLT1
SCHEMBL13434860 0.79 EGFR (0.69) MKNK1ROCK2EGFRROCK1FLT1
SCHEMBL3035598 0.78 ROCK2 (0.60) MKNK1ROCK2EGFRROCK1FLT1
SCHEMBL18343172 0.78 ROCK2 (0.61) MKNK1ROCK2EGFRROCK1FLT1
SCHEMBL13220452 0.73 ROCK2 (0.55) MKNK1ROCK2EGFRROCK1FLT1
SCHEMBL13220420 0.73 ROCK2 (0.55) MKNK1ROCK2EGFRROCK1FLT1
SCHEMBL13220435 0.73 CDC7 (0.58) MKNK1ROCK2EGFRROCK1FLT1
SCHEMBL13547636 0.73 ROCK2 (0.55) MKNK1ROCK2EGFRROCK1FLT1
SCHEMBL13220422 0.73 ROCK2 (0.55) MKNK1ROCK2EGFRROCK1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 — — EP claimed
US-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives BAYER HEALTHCARE LLC 2005-01-27 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives KDR, FLT4, FLT1 MKNK1 1596/4885ROCK2 1390/4885EGFR 56/4885

“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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