SCHEMBL2947166

SCHEMBL2947166

NC(=O)c1sc2[nH]c(=O)ccc2c1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.33
IKBKB O14920 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
UCHL1 P09936 4/20 0.32
UCHL3 P15374 1/20 0.32
TGM2 P21980 1/20 0.32
CASP3 P42574 1/20 0.32
USP5 P45974 1/20 0.32
CDC7 O00311 1/20 0.31
EEF2K O00418 1/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
RPS6KA5 O75582 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
INSR P06213 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL2950087 0.85 UCHL1 (0.35) PDE3BPDE3AUCHL1UCHL3TGM2
SCHEMBL5648879 0.67 KDM4E (0.41) PDE3BPDE3AUCHL1UCHL3TGM2
SCHEMBL347996 0.66 LIMK1 (0.66) LIMK1IKBKBMEN1MAPTKMT2A
SCHEMBL22310341 0.66 PIM1 (0.41) LIMK1PDE3BPDE3AAURKADAPK3
SCHEMBL29163700 0.62 PDE3B (0.39) LIMK1PDE3BPDE3AGSK3BDYRK1A
SCHEMBL11341595 0.61 LIMK1 (0.69) LIMK1IKBKBMAPK1ALOX15HSD17B10
SCHEMBL660147 0.61 KDM4E (0.51) LIMK1IKBKBCDC7PLK4AURKA
SCHEMBL20562682 0.58 ALDH1A1 (0.47) IKBKBCDC7CDK2KMT2AMAPK1
SCHEMBL30380476 0.58 ALDH1A1 (0.47) PDE3BPDE3APIM1PIM3GAA
SCHEMBL3833093 0.57 PDE3B (0.33) LIMK1PDE3BPDE3AAURKADAPK3

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 LIMK1 1663/4885IKBKB 84/4885PDE3B 3347/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 LIMK1 1724/4885IKBKB 76/4885PDE3B 3724/4885

“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.