SCHEMBL3051660

SCHEMBL3051660

Cc1ccc(NC(=O)CC2CC2)cc1Nc1ccc2c(c1)CN(c1ccccc1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.46
NAMPT P43490 2/20 0.42
GRM1 Q13255 1/20 0.40
LDLR P01130 1/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KHK P50053 1/20 0.40
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MYLK Q15746 1/20 0.39
MAP3K5 Q99683 1/20 0.39

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
SCHEMBL4506375 0.86 MAPK14 (0.52) MAPK14NAMPTGRM1RAB9AMEN1
SCHEMBL3053804 0.81 HDAC6 (0.49) MAPK14NAMPTRAB9AMEN1KMT2A
SCHEMBL3042141 0.81 MAPK14 (0.48) MAPK14GRM1RAB9AMEN1KMT2A
SCHEMBL3055917 0.79 NPC1 (0.47) MAPK14GRM1RAB9AMEN1KMT2A
SCHEMBL3063360 0.79 MAPK14 (0.57) MAPK14
SCHEMBL3059024 0.79 MAPK14 (0.54) MAPK14GRM1
SCHEMBL3050669 0.78 MAPK14 (0.46) MAPK14GRM1RAB9ANPC1HPGD
SCHEMBL3056124 0.78 MAPK14 (0.52) MAPK14
SCHEMBL3058462 0.76 MAPK14 (0.44) MAPK14LDLRRAB9AMEN1KMT2A
SCHEMBL3051473 0.76 GAA (0.43) MAPK14GRM1RAB9AMEN1KMT2A

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 21/4885NAMPT 1956/4885GRM1 1452/4885

“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.