SCHEMBL3050669

SCHEMBL3050669

COC(=O)c1ccc(C)c(Nc2ccc3c(c2)CN(c2ccccc2)C3=O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.46
POLB P06746 1/20 0.43
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GRM1 Q13255 1/20 0.41
THRB P10828 1/20 0.41
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40

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
SCHEMBL3042141 0.91 MAPK14 (0.48) MAPK14LMNANPC1RAB9AGRM1
SCHEMBL3056124 0.88 MAPK14 (0.52) MAPK14
SCHEMBL3063360 0.85 MAPK14 (0.57) MAPK14
SCHEMBL3055917 0.83 NPC1 (0.47) MAPK14LMNANPC1RAB9AHTT
SCHEMBL15712826 0.80 CYP11B2 (0.45) MAPK14POLBLMNANPC1RAB9A
SCHEMBL3051473 0.80 GAA (0.43) MAPK14POLBP2RX7ALDH1A1LMNA
SCHEMBL3059024 0.79 MAPK14 (0.54) MAPK14GRM1
SCHEMBL3051660 0.78 MAPK14 (0.46) MAPK14NPC1RAB9AHPGDGRM1
SCHEMBL23306573 0.78 LMNA (0.54) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL5330983 0.75 MAPT (0.55) POLBP2RX7ALDH1A1NPC1RAB9A

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 3 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 disclosed
EP-1907358-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2008-04-09 EP disclosed
WO-2007000340-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO 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 21/4885POLB 1735/4885P2RX7 2507/4885

“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.