SCHEMBL68697

SCHEMBL68697

COc1cc(Nc2nccc(-c3c(-c4cnc(N)c(OC)c4)nc(C(C)(C)C)n3COCC[Si](C)(C)C)n2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.38
JAK2 O60674 4/20 0.36
ZAP70 P43403 8/20 0.36
PRKD3 O94806 3/20 0.35
PRKCG P05129 3/20 0.35
PRKCB P05771 3/20 0.35
LCK P06239 3/20 0.35
PRKCA P17252 3/20 0.35
PRKCH P24723 3/20 0.35
PRKCI P41743 3/20 0.35
PRKCE Q02156 3/20 0.35
PRKCQ Q04759 3/20 0.35
PRKCZ Q05513 3/20 0.35
PRKCD Q05655 3/20 0.35
PRKD1 Q15139 3/20 0.35
EGFR P00533 3/20 0.35
CDK5 Q00535 1/20 0.34
GSK3B P49841 6/20 0.33
CDK2 P24941 6/20 0.33
CDK4 P11802 2/20 0.33

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
SCHEMBL68362 0.82 PIK3CG (0.37) CDK5GSK3BCDK2CDK4PIK3CA
SCHEMBL67957 0.74 BRAF (0.41) BRAFZAP70PRKD3PRKCGPRKCB
SCHEMBL67395 0.71 BRAF (0.42) BRAFJAK2ZAP70PRKD3PRKCG
SCHEMBL68750 0.71 BRAF (0.44) BRAFJAK2ZAP70PRKD3PRKCG
SCHEMBL68681 0.71 BRAF (0.55) BRAFZAP70PRKD3PRKCGPRKCB
SCHEMBL68741 0.69 BRAF (0.44) BRAFJAK2ZAP70PRKD3PRKCG
SCHEMBL84579 0.64 DGAT1 (0.39) BRAFPIK3CA
SCHEMBL68603 0.64 TNIK (0.39) BRAF
SCHEMBL67109 0.63 TNIK (0.43) BRAFPIK3CA
SCHEMBL67857 0.63 BRAF (0.38) BRAFJAK2ZAP70PRKD3PRKCG

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 4 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-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-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 658/4885ZAP70 876/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885JAK2 571/4885ZAP70 577/4885

“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.