SCHEMBL13701669

SCHEMBL13701669

Cc1ccc(-c2cccc(C(=O)NC(C)(C)C)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
DYRK1A Q13627 1/20 0.45
CDK8 P49336 2/20 0.44
GRM5 P41594 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMO O15229 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
P4HTM Q9NXG6 1/20 0.41

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
SCHEMBL13701680 0.85 KCNQ3 (0.48) RIPK1DYRK1ACDK8LMNAABL1
SCHEMBL13701679 0.85 NPC1 (0.47) RIPK1DYRK1ACDK8LMNANPC1
SCHEMBL13611934 0.83 KMO (0.61) RIPK1DYRK1AKMOEGLN1P4HTM
SCHEMBL13701640 0.83 MEN1 (0.60)
SCHEMBL13701676 0.81 GAA (0.44) RIPK1DYRK1ACDK8LMNA
SCHEMBL14507838 0.81 ERN1 (0.56) RIPK1DYRK1AABL1BCR
SCHEMBL13702257 0.81 CDK8 (0.62) RIPK1CDK8GRM5ALDH1A1CYP2C19
SCHEMBL13701695 0.79 HDAC8 (0.64) GRM5LMNAKMO
SCHEMBL5562440 0.79 CDK8 (0.60) CDK8ALDH1A1ABL1BCR
SCHEMBL13701643 0.79 KAT6A (0.54) DYRK1ACYP2C19LMNAABL1KMO

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX RIPK1 2878/4885DYRK1A 4221/4885CDK8 960/4885

“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.