SCHEMBL67857

SCHEMBL67857

COc1cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(Nc3ccc4c(c3)OC(F)(F)O4)n2)cnc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.38
JAK2 O60674 1/20 0.36
ULK1 O75385 1/20 0.36
SYK P43405 1/20 0.36
PRKD3 O94806 1/20 0.35
EGFR P00533 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
LCK P06239 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
ZAP70 P43403 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKD1 Q15139 1/20 0.35
RAF1 P04049 1/20 0.35
CDK4 P11802 2/20 0.34

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
SCHEMBL67957 0.86 BRAF (0.41) BRAFSYKPRKD3EGFRPRKCG
SCHEMBL66802 0.84 CDK2 (0.42) BRAFJAK2SYKZAP70RAF1
SCHEMBL68042 0.82 GSK3B (0.46) BRAFRAF1CDK4CDK2GSK3B
SCHEMBL67340 0.82 GSK3B (0.46) BRAFRAF1CDK4CDK2GSK3B
SCHEMBL67756 0.81 BRAF (0.45) BRAFRAF1
SCHEMBL68688 0.81 IGF1R (0.49) BRAFSYKEGFRPRKCAPRKCD
SCHEMBL67958 0.79 BRAF (0.48) BRAF
SCHEMBL68488 0.78 BRAF (0.47) BRAF
SCHEMBL67819 0.77 ZAP70 (0.44) BRAFJAK2SYKPRKD3EGFR
SCHEMBL69072 0.77 BRAF (0.47) BRAF

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 12 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-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-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

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 BRAF 1/4885JAK2 658/4885ULK1 479/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885JAK2 571/4885ULK1 391/4885

“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.