SCHEMBL2958074

SCHEMBL2958074

N#Cc1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.39
TDO2 P48775 1/20 0.39
EGFR P00533 13/20 0.36
ERBB2 P04626 10/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GAK O14976 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
EPAS1 Q99814 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2959762 0.89 CDK4 (0.38) MAP2K1MAPTPOLBSMN1; SMN2
SCHEMBL2958483 0.88 CYP3A4 (0.39) EGFRERBB2MAPTTP53POLB
SCHEMBL2954060 0.88 NPC1 (0.37) EGFRERBB2MAPTTP53SMN1; SMN2
SCHEMBL2958784 0.88 IDO1 (0.39) MAPTPOLBSMN1; SMN2
SCHEMBL2956230 0.85 EGFR (0.37) TDO2EGFRERBB2MAPTPOLB
SCHEMBL2952663 0.85 EGFR (0.38) EGFRERBB2MAPTTP53POLB
SCHEMBL2960654 0.85 RAPGEF4 (0.38) MAPTTP53POLBRAPGEF4SMN1; SMN2
SCHEMBL2955761 0.85 TDO2 (0.42) TDO2EGFRERBB2MAPTRAPGEF4
SCHEMBL2957619 0.84 KMT2A (0.45) EGFRERBB2MAPTPOLBSMN1; SMN2
SCHEMBL2956795 0.83 MAP2K1 (0.34) MAP2K1MAPTTP53EPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US claimed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US claimed
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 MAP2K1 19/4885TDO2 502/4885EGFR 996/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 MAP2K1 25/4885TDO2 909/4885EGFR 933/4885

“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.