SCHEMBL4245591

SCHEMBL4245591

[CH]C1([CH])CNc2c(-c3ccc(=O)n(-c4ccccc4C)n3)c(-c3cccc(C)c3)nn2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.49
MAPK11 Q15759 4/20 0.49
CYP2C9 P11712 1/20 0.49
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
MAPK12 P53778 3/20 0.36
MAPK14 Q16539 3/20 0.36
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 2/20 0.34
NFKB1 P19838 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL4244943 0.90 MAPK13 (0.49) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4245593 0.90 MAPK13 (0.51) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4243482 0.87 MAPK13 (0.53) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL13928937 0.83 MAPK13 (0.47) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4245646 0.81 MAPK13 (0.49) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4242092 0.79 MAPK13 (0.57) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL29593694 0.79 MAPK13 (0.57) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4237534 0.79 MAPK13 (0.78) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL29593359 0.79 MAPK13 (0.78) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4239778 0.77 MAPK13 (0.64) MAPK13MAPK11CYP2C9FGFR1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC (JP) 2009-02-12 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 (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-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN HRH2, OPRD1, HRH4 MAPK13 1439/4885MAPK11 1195/4885CYP2C9 359/4885

“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.