SCHEMBL4241315

SCHEMBL4241315

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)n[nH]c2NC2(CCO)CCN(C(=O)OCc3ccccc3)CC2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK11 Q15759 1/20 0.45
TRPC3 Q13507 3/20 0.41
TRPC7 Q9HCX4 3/20 0.41
RORC P51449 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACKR3 P25106 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK9 P50750 1/20 0.33
ACACB O00763 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 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
SCHEMBL4241218 0.80 MAPK13 (0.54) MAPK13CYP2C9MAPK11TRPC3TRPC7
SCHEMBL4246284 0.77 MAPK13 (0.44) MAPK13CYP2C9MAPK11TRPC3TRPC7
SCHEMBL4243655 0.77 MAPK13 (0.48) MAPK13CYP2C9MAPK11TRPC3TRPC7
SCHEMBL4246294 0.76 MAPK11 (0.55) MAPK13CYP2C9MAPK11ALDH1A1HDAC6
SCHEMBL4243526 0.76 MAPK13 (0.48) MAPK13CYP2C9MAPK11TRPC3TRPC7
SCHEMBL4245202 0.75 MAPK13 (0.53) MAPK13CYP2C9MAPK11ALDH1A1KDM4E
SCHEMBL4240989 0.74 MAPK13 (0.50) MAPK13CYP2C9MAPK11
SCHEMBL5812295 0.74 MAPK13 (0.53) MAPK13CYP2C9MAPK11ALDH1A1HSD17B10
SCHEMBL4246031 0.73 MAPK13 (0.49) MAPK13CYP2C9MAPK11ALDH1A1KDM4E
SCHEMBL4760873 0.73 MAPK13 (0.49) MAPK13CYP2C9MAPK11

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 1439/4885CYP2C9 359/4885MAPK11 1195/4885

“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.