SCHEMBL2958889

SCHEMBL2958889

O=C(c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccccc1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
HPGD P15428 6/20 0.45
HSD17B10 Q99714 4/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 3/20 0.45
ALOX15 P16050 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
GRM5 P41594 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TLR9 Q9NR96 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL2959276 0.99 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10HTTMAPT
SCHEMBL2958030 0.93 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10HTTMAPT
SCHEMBL2953084 0.90 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10HTTMAPT
SCHEMBL2950110 0.90 TERT (0.37) ALDH1A1HPGDHSD17B10HTTMAPT
SCHEMBL2956227 0.89 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10HTTMAPT
SCHEMBL2958967 0.88 TOP2A (0.39) ALDH1A1HPGDHSD17B10HTTMAPT
Ammonia Solution, Strong SCHEMBL1267334 0.84 CDK4 (0.38) ALDH1A1HPGDHSD17B10MAPTALOX15
SCHEMBL2955571 0.83 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10HTTMAPT
SCHEMBL2958436 0.83 KMT2A (0.41) ALDH1A1HPGDHSD17B10HTTMAPT
SCHEMBL2958575 0.83 CDK4 (0.38) ALDH1A1HPGDHSD17B10HTTMAPT

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 1970/4885HPGD 1412/4885HSD17B10 3550/4885
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK ALDH1A1 1045/4885HPGD 3282/4885HSD17B10 2273/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885HPGD 3563/4885HSD17B10 2263/4885

“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.