SCHEMBL3054080

SCHEMBL3054080

Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc2c(c1)CN(C1CCCC1)C2=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.58
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
BRAF P15056 2/20 0.43
MAPK11 Q15759 2/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL3054889 0.84 MAPK14 (0.59) MAPK14MAPK11
SCHEMBL3051322 0.82 MAPK14 (0.57) MAPK14ALDH1A1TSHRMAPK11
SCHEMBL3063360 0.82 MAPK14 (0.57) MAPK14MAPK11
SCHEMBL3058508 0.81 MAPK14 (0.56) MAPK14ALDH1A1TSHRMAPK11
SCHEMBL3048385 0.77 MAPK14 (0.65) MAPK14MAPK11
SCHEMBL4494518 0.76 MAPK14 (0.53) MAPK14MAPK11
SCHEMBL4494520 0.76 MAPK14 (0.53) MAPK14MAPK11
SCHEMBL3050591 0.75 MAPK14 (0.68) MAPK14MAPK11
SCHEMBL4512693 0.74 MAPK14 (0.50) MAPK14MAPK11
SCHEMBL5080178 0.73 BRD4 (0.40) MAPK14

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-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 US claimed
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 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-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors MAPK1, MAPKAPK2, MAPK7 MAPK14 21/4885ALDH1A1 1929/4885TSHR 3973/4885

“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.