SCHEMBL11982587

SCHEMBL11982587

Cc1ccc(C(=O)NC2CC2)cc1-n1cnc(C(=O)NC2CC2)c1N

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.65
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TP53 P04637 1/20 0.48

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
SCHEMBL11982555 0.97 MAPK14 (0.61) MAPK14CYP3A4CYP2C9TP53
SCHEMBL11982577 0.96 MAPK14 (0.60) MAPK14CYP3A4CYP2C9TP53
SCHEMBL11982650 0.96 MAPK14 (0.60) MAPK14CYP3A4CYP2C9TP53
SCHEMBL11982576 0.93 MAPK14 (0.62) MAPK14CYP3A4CYP2C9TP53
SCHEMBL11982590 0.93 MAPK14 (0.57) MAPK14CYP3A4CYP2C9
SCHEMBL1384294 0.91 MAPK14 (0.59) MAPK14
SCHEMBL1417056 0.91 MAPK14 (0.59) MAPK14CYP3A4CYP2C9
SCHEMBL11965708 0.90 MAPK14 (0.58) MAPK14
SCHEMBL1417396 0.90 MAPK14 (0.58) MAPK14CYP3A4CYP2C9TP53
SCHEMBL1416857 0.90 MAPK14 (0.58) MAPK14CYP3A4CYP2C9

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
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2011-03-24 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-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885CYP3A4 2146/4885CYP2C9 2806/4885

“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.