SCHEMBL4236750

SCHEMBL4236750

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC2(CCN(C(=O)O)CC2)C3)ccc1=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.59
MAPK11 Q15759 5/20 0.59
CYP2C9 P11712 1/20 0.59
MAPK12 P53778 4/20 0.37
MAPK14 Q16539 4/20 0.37
BTK Q06187 2/20 0.36
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
ADORA1 P30542 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
ACACA Q13085 1/20 0.30

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
SCHEMBL4243653 0.94 MAPK11 (0.59) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL29593350 0.94 MAPK11 (0.59) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4241448 0.91 MAPK13 (0.64) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4249689 0.90 MAPK13 (0.55) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4240738 0.90 MAPK13 (0.62) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4246091 0.90 MAPK13 (0.65) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4245886 0.89 MAPK13 (0.62) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4708826 0.88 MAPK13 (0.60) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL13928958 0.88 MAPK13 (0.63) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4236711 0.88 MAPK13 (0.61) MAPK13MAPK11CYP2C9MAPK12MAPK14

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.