SCHEMBL2958735

SCHEMBL2958735

O=C(NCCN1CCCCC1)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 5/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
STAT3 P40763 1/20 0.41
APP P05067 1/20 0.41
HTR3A P46098 2/20 0.40
BTK Q06187 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
CACNA1G O43497 1/20 0.39

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
SCHEMBL2956215 0.91 PARP1 (0.42) MEN1KMT2APOLBPARP1KDM4E
SCHEMBL2953745 0.91 LMNA (0.51) MEN1KMT2APARP1KDM4ELMNA
SCHEMBL5651037 0.86 PARP1 (0.46) MEN1KMT2APOLBPARP1KDM4E
SCHEMBL2950047 0.86 HTR3A (0.44) MEN1KMT2APARP1KDM4ESTAT3
SCHEMBL2953704 0.86 MAPT (0.46) MEN1KMT2APOLBPARP1KDM4E
SCHEMBL5653732 0.85 PARP1 (0.47) MEN1KMT2APOLBPARP1KDM4E
SCHEMBL2958448 0.85 ALDH1A1 (0.50) MEN1KMT2APOLBKDM4ELMNA
SCHEMBL2960817 0.83 KMT2A (0.43) MEN1KMT2APOLBPARP1KDM4E
SCHEMBL2959276 0.83 ALDH1A1 (0.47) MEN1KMT2APOLBKDM4ELMNA
SCHEMBL2952845 0.83 CXCR2 (0.42) KDM4ELMNAMAPTALDH1A1HPGD

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 MEN1 4273/4885KMT2A 1316/4885POLB 1601/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 MEN1 3906/4885KMT2A 1383/4885POLB 1672/4885

“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.