SCHEMBL3259063

SCHEMBL3259063

Nc1[nH]ncc1C(=O)c1cn[nH]c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
PDPK1 O15530 1/20 0.43
GAA P10253 2/20 0.42
AHR P35869 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.38
CHEK1 O14757 2/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 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
SCHEMBL1164551 0.84
SCHEMBL358337 0.84
SCHEMBL15760567 0.82
SCHEMBL4407661 0.79 TSHR (0.59) TSHRMEN1KMT2AALDH1A1PDPK1
SCHEMBL13606400 0.79 TSHR (0.59) TSHRMEN1KMT2AALDH1A1PDPK1
SCHEMBL1318409 0.77 ALDH1A1 (0.49) TSHRMEN1KMT2AALDH1A1GAA
SCHEMBL8283359 0.77 KMT2A (0.49) TSHRMEN1KMT2AALDH1A1GAA
SCHEMBL25017479 0.77 TSHR (0.58) TSHRMEN1KMT2AALDH1A1PDPK1
SCHEMBL1009529 0.77 TSHR (1.00) TSHRMEN1KMT2AALDH1A1GAA
SCHEMBL13890042 0.76 TSHR (0.44) TSHRMEN1KMT2AALDH1A1PDPK1

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
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-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
CN-1898243-A Bicyclic heterocyclic p-38 kinase inhibitors NOVARTIS AG (CH) 2007-01-17 CN disclosed
EP-1699800-A2 BICYCLIC HETEROCYCLIC P-38 KINASE INHIBITORS Novartis AG (CH) 2006-09-13 EP disclosed
WO-2005063766-A2 BICYCLIC HETEROCYCLIC P-38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-07-14 WO 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 TSHR 4247/4885MEN1 4653/4885KMT2A 3361/4885
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 TSHR 4071/4885MEN1 4824/4885KMT2A 2328/4885

“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.