SCHEMBL68210

SCHEMBL68210

COc1cc(-c2[nH]c(-c3cccc(C(N)=O)c3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.52
CSNK1D P48730 3/20 0.52
CSNK1E P49674 3/20 0.52
FYN P06241 2/20 0.51
MPO P05164 1/20 0.48
RAF1 P04049 3/20 0.48
NOX1 Q9Y5S8 2/20 0.46
MAPK13 O15264 3/20 0.45
MAPK12 P53778 3/20 0.45
MAPK11 Q15759 3/20 0.45
SMPD3 Q9NY59 1/20 0.45
ATR Q13535 1/20 0.44
ALOX5 P09917 3/20 0.43
GCGR P47871 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL68074 0.92 RAF1 (0.56) MAPK14CSNK1DCSNK1EFYNMPO
SCHEMBL69090 0.90 MAPK14 (0.57) MAPK14CSNK1DCSNK1EFYNMPO
SCHEMBL68478 0.87 MAPK14 (0.51) MAPK14MPORAF1NOX1MAPK13
SCHEMBL84220 0.85 MAPK14 (0.59) MAPK14CSNK1DCSNK1ERAF1NOX1
SCHEMBL67076 0.85 KDM4E (0.52) MAPK14CSNK1DMPORAF1NOX1
SCHEMBL67025 0.85 MAPK13 (0.61) MAPK14MPORAF1NOX1MAPK13
SCHEMBL68129 0.83 ALOX5 (0.52) MAPK14MPORAF1NOX1MAPK13
SCHEMBL67505 0.83 ALOX5 (0.62) MAPK14CSNK1DCSNK1EMPORAF1
SCHEMBL67792 0.83 MAPK14 (0.51) MAPK14MPORAF1NOX1MAPK13
SCHEMBL67667 0.83 RAF1 (0.65) MAPK14CSNK1DCSNK1EMPORAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MAPK14 484/4885CSNK1D 1506/4885CSNK1E 1110/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885CSNK1D 835/4885CSNK1E 606/4885

“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.