SCHEMBL2959253

SCHEMBL2959253

N#Cc1sc2c(ccc(=O)n2C2CC2)c1N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.35
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
XBP1 P17861 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL2947080 0.84
SCHEMBL2780092 0.73 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL2960372 0.71 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL1265636 0.69 ALDH1A1 (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL2949358 0.68 EP300 (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL19691774 0.58 KDM1A (0.41) KDM4EALDH1A1HSD17B10USP2POLB
SCHEMBL11331315 0.57 LIMK1 (0.46) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL21122265 0.57 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL31381488 0.56 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL2781979 0.56 ADORA1 (0.37) KDM4EALDH1A1SMN1; SMN2MAPTLMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 1879/4885ALDH1A1 1970/4885SMN1; SMN2 3748/4885
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK KDM4E 2174/4885ALDH1A1 1045/4885SMN1; SMN2 3637/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 KDM4E 2211/4885ALDH1A1 717/4885SMN1; SMN2 3472/4885

“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.