SCHEMBL2952845

SCHEMBL2952845

CCNC(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.42
HPGD P15428 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GSK3B P49841 1/20 0.37
MAPT P10636 4/20 0.35
GAA P10253 2/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 2/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL2957695 0.89 CXCR2 (0.40) CXCR2HPGDNPC1ALDH1A1MAPT
SCHEMBL2949859 0.87 CDK4 (0.37) HPGDALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2952787 0.87 LMNA (0.47) HPGDNPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2958436 0.86 KMT2A (0.41) HPGDALDH1A1SMN1; SMN2MAPTGAA
Ammonia Solution, Strong SCHEMBL1267334 0.85 CDK4 (0.38) CXCR2HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL2954144 0.84 ALDH1A1 (0.44) HPGDNPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL2950157 0.84 CXCR2 (0.40) CXCR2NPC1ALDH1A1MAPTGAA
SCHEMBL2958575 0.84 CDK4 (0.38) CXCR2HPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL1266606 0.83 MAPT (0.49) HPGDNPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5649437 0.83 HPGD (0.44) HPGDNPC1ALDH1A1SMN1; SMN2GSK3B

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 CXCR2 658/4885HPGD 3282/4885NPC1 2692/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 CXCR2 436/4885HPGD 3563/4885NPC1 2803/4885

“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.