SCHEMBL2956902

SCHEMBL2956902

O=C(O)c1sc2c(ccc(=O)n2CC2CC2)c1Nc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.41
MAP2K1 Q02750 5/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4C Q9H3R0 3/20 0.35
GAA P10253 1/20 0.35
CSNK2A1 P68400 1/20 0.35
HTT P42858 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK14 Q16539 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL2958948 0.91 MAPK9 (0.40) MAPK9MAP2K1CNR1CNR2KCNH2
SCHEMBL2960077 0.87 MAP2K1 (0.39) MAPK9MAP2K1CNR2HTTKCNH2
Ammonia Solution, Strong SCHEMBL2958678 0.79 CDK4 (0.41) CNR2GAAL3MBTL1MAPTRXFP1
Ammonia Solution, Strong SCHEMBL2949465 0.78 ALDH1A1 (0.44) GAACSNK2A1HTTMAPK14L3MBTL1
SCHEMBL1267170 0.78 ALDH1A1 (0.44) GAACSNK2A1HTTMAPK14L3MBTL1
SCHEMBL2954048 0.75 ALDH1A1 (0.43) MAP2K1GAAHTTMAPK14MAPT
SCHEMBL2957886 0.74 THRB (0.39) MAP2K1GAAMAPT
SCHEMBL2956676 0.72 CSF1R (0.38) CNR1CNR2MAPT
SCHEMBL2953780 0.72 AADAT (0.39) MAPT
SCHEMBL2949022 0.72 CDK4 (0.40) CNR2HTTMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 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 (2 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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK MAPK9 27/4885MAP2K1 19/4885CNR1 88/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 MAPK9 61/4885MAP2K1 25/4885CNR1 63/4885

“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.