SCHEMBL3041990

SCHEMBL3041990

COc1ccc(C(=O)NC2CC2)cc1Nc1ccc2c(c1)CC(C)(C)C2=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.50
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
LRRK2 Q5S007 1/20 0.39
PTK2 Q05397 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
KMT2A Q03164 1/20 0.38
TTK P33981 1/20 0.38
EIF2AK3 Q9NZJ5 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3048385 0.87 MAPK14 (0.65) MAPK14
SCHEMBL3051669 0.86 MAPK14 (0.52) MAPK14MAPTKMT2A
SCHEMBL3040717 0.86 MAPK14 (0.65) MAPK14
SCHEMBL3059142 0.82 MAPK14 (0.64) MAPK14KMT2A
SCHEMBL3050591 0.78 MAPK14 (0.68) MAPK14
SCHEMBL3049670 0.74 MAPK14 (0.59) MAPK14
SCHEMBL3061264 0.74 MAPK14 (0.48) MAPK14MAPTSMN1; SMN2
SCHEMBL4504889 0.74 MAPK14 (0.60) MAPK14
SCHEMBL3052171 0.73 MAPK14 (0.49) MAPK14
SCHEMBL3051455 0.71 MAPK14 (0.56) MAPK14KMT2A

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 21/4885TACR2 3207/4885TACR1 3603/4885

“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.