SCHEMBL3144145

SCHEMBL3144145

COc1ccccc1-c1ncnc2c1ncn2-c1cc(C(=O)NC2CC2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.53
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
RPS6KA5 O75582 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK11 Q15759 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL3145748 0.92 MAPK14 (0.48) MAPK14HPGDHTTNPSR1LMNA
SCHEMBL3145569 0.90 MAPK14 (0.50) MAPK14
SCHEMBL3148991 0.88 MAPK14 (0.49) MAPK14
SCHEMBL3141848 0.88 MAPK13 (0.50) MAPK14MAPK11TP53MAPT
SCHEMBL3149111 0.88 MAPK14 (0.52) MAPK14
SCHEMBL3138765 0.87 MAPK14 (0.49) MAPK14
SCHEMBL3148553 0.87 MAPK14 (0.54) MAPK14
SCHEMBL14501551 0.86 MAPK14 (0.46) MAPK14TP53
SCHEMBL3150192 0.86 MAPK14 (0.46) MAPK14RPS6KA5CYP3A4MAPKAPK2KCNH2
SCHEMBL3140544 0.86 MAPK14 (0.46) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699800-B1 BICYCLIC HETEROCYCLIC P-38 KINASE INHIBITORS NOVARTIS AG (CH) 2010-02-10 EP claimed
EP-1699800-B1 BICYCLIC HETEROCYCLIC P-38 KINASE INHIBITORS NOVARTIS AG (CH) 2010-02-10 EP disclosed
US-20090264409-A1 Bicyclic Heterocyclic p-38 Kinase Inhibitors DONG QING 2009-10-22 US disclosed
US-20090264409-A1 Bicyclic Heterocyclic p-38 Kinase Inhibitors DONG QING 2009-10-22 US disclosed
US-20090264409-A1 Bicyclic Heterocyclic p-38 Kinase Inhibitors DONG QING 2009-10-22 US disclosed
US-7569571-B2 Substituted pyrazolo [3,4-d]pyrimidines as cytokine modulators NOVARTIS AG (CH) 2009-08-04 US disclosed
US-7569571-B2 Substituted pyrazolo [3,4-d]pyrimidines as cytokine modulators NOVARTIS AG (CH) 2009-08-04 US disclosed
US-7569571-B2 Substituted pyrazolo [3,4-d]pyrimidines as cytokine modulators NOVARTIS AG (CH) 2009-08-04 US disclosed
US-20070142405-A1 Such as N-cyclopropyl-4-methyl-3-(4-phenyl-pyrazolo[3,4-d]pyrimidin-1-yl)-benzamide; for inhibiting p38 kinase mediated diseases and disorders such as inflammatory diseases TRIAD THERAPEUTICS, INC. 2007-06-21 US disclosed
US-20070142405-A1 Such as N-cyclopropyl-4-methyl-3-(4-phenyl-pyrazolo[3,4-d]pyrimidin-1-yl)-benzamide; for inhibiting p38 kinase mediated diseases and disorders such as inflammatory diseases TRIAD THERAPEUTICS, INC. 2007-06-21 US disclosed
US-20070142405-A1 Such as N-cyclopropyl-4-methyl-3-(4-phenyl-pyrazolo[3,4-d]pyrimidin-1-yl)-benzamide; for inhibiting p38 kinase mediated diseases and disorders such as inflammatory diseases TRIAD THERAPEUTICS, INC. 2007-06-21 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-20090264409-A1 Bicyclic Heterocyclic p-38 Kinase Inhibitors MAPK8, MAP3K8, MAPKAPK2 MAPK14 35/4885HPGD 860/4885HTT 2537/4885
US-20070142405-A1 Such as N-cyclopropyl-4-methyl-3-(4-phenyl-pyrazolo[3,4-d]pyrimidin-1-yl)-benzamide; for inhibiting p38 kinase mediated diseases and disorders such as inflammatory diseases MAPK1, MAP3K8, MAP3K1 MAPK14 33/4885HPGD 652/4885HTT 3037/4885

“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.