SCHEMBL2958665

SCHEMBL2958665

N#Cc1sc2c(ccc(=O)n2-c2ccccc2Cl)c1Nc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
S1PR4 O95977 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
S1PR1 P21453 1/20 0.34
CXCR2 P25025 3/20 0.33
MAPK14 Q16539 4/20 0.32
MAPK11 Q15759 2/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MGLL Q99685 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MAPT P10636 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MAT2A P31153 1/20 0.30
PSMB8 P28062 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL2961083 0.89 MAPT (0.39) ALDH1A1KDM4ES1PR4GLAGAA
SCHEMBL2959762 0.85 CDK4 (0.38) ALDH1A1KDM4EGAACXCR2MAPT
SCHEMBL2952952 0.84 CHRNA7 (0.35) GAAMAPK14MAPK11MAPK13MAPK12
SCHEMBL2949354 0.81 MAPK14 (0.34) MAPK14MAT2APSMB8
SCHEMBL1266756 0.80 ALDH1A1 (0.37) ALDH1A1KDM4ES1PR4GLAGAA
SCHEMBL1265636 0.80 ALDH1A1 (0.37) ALDH1A1KDM4ES1PR4GLAGAA
SCHEMBL2954060 0.80 NPC1 (0.37) ALDH1A1KDM4EGAAMAPTMAT2A
SCHEMBL2956795 0.79 MAP2K1 (0.34) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL2958928 0.79 CXCR2 (0.38) WEE1ALDH1A1KDM4EGAACXCR2
SCHEMBL2952051 0.78 IDO1 (0.38) ALDH1A1KDM4ES1PR4GLAGAA

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 WEE1 499/4885ALDH1A1 1045/4885KDM4E 2174/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 WEE1 521/4885ALDH1A1 717/4885KDM4E 2211/4885

“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.