SCHEMBL2956227

SCHEMBL2956227

CCN1CCN(C(=O)c2sc3c(ccc(=O)n3-c3ccccc3)c2Nc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
PARP1 P09874 1/20 0.43
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM1A O60341 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN7 P35236 1/20 0.38
HTT P42858 1/20 0.38
DUSP3 P51452 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD11B1 P28845 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL2958889 0.89 ALDH1A1 (0.45) ALDH1A1HSD17B10MAPTHPGDALOX15
SCHEMBL2959276 0.88 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPTHPGDALOX15
SCHEMBL3832893 0.85 ALDH1A1 (0.45) ALDH1A1PARP1RXFP1HSD17B10MAPT
SCHEMBL3835904 0.85 ALDH1A1 (0.45) ALDH1A1PARP1RXFP1HSD17B10MAPT
SCHEMBL2958030 0.82 ALDH1A1 (0.42) ALDH1A1HSD17B10MAPTHPGDALOX15
SCHEMBL2950110 0.82 TERT (0.37) ALDH1A1HSD17B10MAPTHPGDALOX15
SCHEMBL2958436 0.81 KMT2A (0.41) ALDH1A1HSD17B10MAPTHPGDALOX15
SCHEMBL2953084 0.80 ALDH1A1 (0.42) ALDH1A1PKMHSD17B10MAPTHPGD
Ammonia Solution, Strong SCHEMBL1267334 0.80 CDK4 (0.38) ALDH1A1HSD17B10MAPTHPGDALOX15
SCHEMBL2952845 0.79 CXCR2 (0.42) ALDH1A1RXFP1MAPTHPGDKDM4E

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 9 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-7482452-B2 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2009-01-27 US disclosed
EP-1638980-B1 PROCESS FOR PREPARING 3-AMINOTHIENOPYRIDONE DERIVATIVES UCB PHARMA SA (BE) 2008-11-05 EP disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
US-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2007-08-16 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 (3 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-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives MAPK3, MAP3K6, MAP4K1 ALDH1A1 1970/4885PARP1 726/4885PKM 439/4885
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK ALDH1A1 1045/4885PARP1 1464/4885PKM 2101/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885PARP1 1328/4885PKM 3060/4885

“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.