SCHEMBL68604

SCHEMBL68604

CC(=O)Nc1n[nH]c2cc(-c3[nH]c(-c4ccccc4)nc3-c3ccncc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.55
ALOX5 P09917 2/20 0.53
MAPK14 Q16539 11/20 0.53
MAPK13 O15264 10/20 0.53
MAPK12 P53778 10/20 0.53
MAPK11 Q15759 10/20 0.53
MAPK9 P45984 1/20 0.52
BRAF P15056 3/20 0.52
GSK3B P49841 3/20 0.51
GCGR P47871 4/20 0.49
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
GSK3A P49840 1/20 0.47

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
SCHEMBL67704 0.80 MAPK13 (0.64) RAF1ALOX5MAPK14MAPK13MAPK12
SCHEMBL6466096 0.80 RAF1 (0.68) RAF1ALOX5MAPK14MAPK13MAPK12
SCHEMBL4487525 0.79 GSK3B (0.73) GSK3BGSK3A
SCHEMBL67380 0.77 MAPK13 (0.65) RAF1ALOX5MAPK14MAPK13MAPK12
SCHEMBL4551617 0.74 KDM4E (0.67) RAF1ALOX5MAPK14MAPK13MAPK12
SCHEMBL65858 0.73 MAPK13 (0.64) RAF1ALOX5MAPK14MAPK13MAPK12
SCHEMBL5759498 0.73 MAPK14 (0.61) RAF1ALOX5MAPK14MAPK13MAPK12
SCHEMBL12462140 0.73 MAPK14 (0.62) RAF1ALOX5MAPK14MAPK13MAPK12
SCHEMBL14689935 0.73 RAF1 (0.67) RAF1ALOX5MAPK14MAPK13MAPK12
SCHEMBL12461160 0.72 RAF1 (0.62) RAF1ALOX5MAPK14MAPK13MAPK12

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
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-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
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS RAF1 4/4885ALOX5 4390/4885MAPK14 484/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS RAF1 2/4885ALOX5 3656/4885MAPK14 218/4885

“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.