SCHEMBL3315145

SCHEMBL3315145

CONC(=O)c1ccc(C)c(Nc2noc(-c3ccccc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPK14 Q16539 12/20 0.46
MAPK13 O15264 3/20 0.45
MAPK12 P53778 3/20 0.45
MAPK11 Q15759 3/20 0.45
SMPD1 P17405 2/20 0.44
CAMKK2 Q96RR4 1/20 0.43
NR1H4 Q96RI1 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3316360 0.83 MAPK14 (0.52) ADORA2AADORA1MAPK14MAPK13MAPK12
SCHEMBL3317626 0.73 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3815107 0.71 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1417024 0.69 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11HDAC1
SCHEMBL3314897 0.68 ALDH1A1 (0.67) HDAC1HDAC8HDAC6
SCHEMBL14510998 0.68 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11HDAC1
SCHEMBL13939383 0.67 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4017599 0.67 ADORA1 (0.76) ADORA2AADORA1NR1H4HDAC1HDAC8
SCHEMBL2984112 0.66 CAMKK2 (0.70) CAMKK2
SCHEMBL12764358 0.66 TAS1R3 (0.55) MAPK14MAPK13MAPK12MAPK11NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US claimed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US claimed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP claimed
EP-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP claimed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO claimed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 US claimed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US disclosed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 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-20100004298-A1 P-38 INHIBITORS MAPK8, MAPK1, MAP3K8 ADORA2A 2748/4885ADORA1 3275/4885MAPK14 21/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 ADORA2A 3015/4885ADORA1 3537/4885MAPK14 12/4885

“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.