SCHEMBL2955552

SCHEMBL2955552

NC(=O)c1sc2c(ccc(=O)n2Cc2ccccc2)c1Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.37
EGLN1 Q9GZT9 2/20 0.37
CAPN1 P07384 1/20 0.36
TP53 P04637 1/20 0.36
MET P08581 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLA2G2A P14555 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LIMK1 P53667 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CXCR2 P25025 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL2954085 0.89 CDK4 (0.42) CDK4CCND1CCND2CCND3GAA
SCHEMBL2952262 0.84 ALDH1A1 (0.52) GAAMAPTALDH1A1TDP1POLB
SCHEMBL2949022 0.83 CDK4 (0.40) CDK4CCND1CCND2CCND3MAPT
SCHEMBL2958575 0.81 CDK4 (0.38) CDK4CCND1CCND2CCND3GAA
SCHEMBL2958928 0.79 CXCR2 (0.38) GAAMAPTALDH1A1GSK3BLIMK1
SCHEMBL2956320 0.76 HPGD (0.34) MAPTALDH1A1TDP1GSK3AGSK3B
SCHEMBL2956783 0.75 PDE4B (0.42) MAPTTP53ALDH1A1POLBRAB9A
SCHEMBL2955899 0.74 CSF1R (0.39) GAAMAPTTP53ALDH1A1TDP1
SCHEMBL2957258 0.74 CCNA2 (0.41) CDK4CCND1CCND2CCND3MAPT
SCHEMBL2958025 0.73 DHODH (0.37) MAPTTP53ALDH1A1LIMK1RAB9A

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 CDK4 743/4885CCND1 655/4885CCND2 932/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 CDK4 689/4885CCND1 533/4885CCND2 932/4885

“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.