SCHEMBL11965680

SCHEMBL11965680

CC(=O)c1c(C)nn(-c2cc(C(=O)NC3CC3)ccc2C)c1N

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.55
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK11 Q15759 1/20 0.47
BRPF1 P55201 1/20 0.45
CREBBP Q92793 1/20 0.45
CECR2 Q9BXF3 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
BRD7 Q9NPI1 1/20 0.45
HPGD P15428 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44

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
SCHEMBL11965677 0.92 MAPK14 (0.54) MAPK14CYP3A4CYP2C9MAPK11HPGD
SCHEMBL11965672 0.90 MAPK14 (0.53) MAPK14CYP3A4CYP2C9MAPK11HPGD
SCHEMBL1382659 0.88 MAPK14 (0.50) MAPK14CYP3A4CYP2C9MAPK11HPGD
SCHEMBL11982541 0.84 MAPK14 (0.53) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL11982584 0.82 MAPK14 (0.51) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL1417107 0.82 MAPK14 (0.51) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL1384078 0.82 MAPK14 (0.51) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL1384415 0.81 MAPK14 (0.50) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL1382689 0.81 MAPK14 (0.49) MAPK14CYP3A4CYP2C9MAPK11HPGD
SCHEMBL1383749 0.81 MAPK14 (0.49) MAPK14CYP3A4CYP2C9MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580838-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2013-11-12 US disclosed
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 US disclosed
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 (3 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-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885CYP3A4 2339/4885CYP2C9 2939/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885CYP3A4 2339/4885CYP2C9 2939/4885
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.