SCHEMBL67957

SCHEMBL67957

COc1cc(Nc2nccc(-c3[nH]c(C(C)(C)C)nc3-c3cnc(N)c(OC)c3)n2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.41
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
SYK P43405 1/20 0.38
ZAP70 P43403 4/20 0.38
PRKD3 O94806 3/20 0.38
PRKCG P05129 3/20 0.38
PRKCB P05771 3/20 0.38
LCK P06239 3/20 0.38
PRKCA P17252 3/20 0.38
PRKCH P24723 3/20 0.38
PRKCI P41743 3/20 0.38
PRKCE Q02156 3/20 0.38
PRKCQ Q04759 3/20 0.38
PRKCZ Q05513 3/20 0.38
PRKCD Q05655 3/20 0.38
PRKD1 Q15139 3/20 0.38
EGFR P00533 2/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL67395 0.89 BRAF (0.42) BRAFCDK4CDK2GSK3BSYK
SCHEMBL66802 0.86 CDK2 (0.42) BRAFCDK4CDK2GSK3BSYK
SCHEMBL67756 0.86 BRAF (0.45) BRAF
SCHEMBL68750 0.86 BRAF (0.44) BRAFCDK4CDK2GSK3BZAP70
SCHEMBL68741 0.86 BRAF (0.44) BRAFCDK4CDK2GSK3BZAP70
SCHEMBL67340 0.86 GSK3B (0.46) BRAFCDK4CDK2GSK3BCDK5
SCHEMBL67857 0.86 BRAF (0.38) BRAFCDK4CDK2GSK3BSYK
SCHEMBL15181528 0.85 BRAF (0.39) BRAFCDK4CDK2GSK3BSYK
SCHEMBL66045 0.85 SYK (0.38) BRAFCDK4CDK2GSK3BSYK
SCHEMBL68042 0.85 GSK3B (0.46) BRAFCDK4CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015686-B Novel heterocyclic compounds and uses therof NOVARTIS AG 2014-07-02 CN claimed
CN-102015686-A Novel heterocyclic compounds and uses therof NOVARTIS AG 2011-04-13 CN claimed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP claimed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US claimed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO claimed
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
CN-102015686-B Novel heterocyclic compounds and uses therof NOVARTIS AG 2014-07-02 CN 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
CN-102015686-A Novel heterocyclic compounds and uses therof NOVARTIS AG 2011-04-13 CN disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP 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 BRAF 1/4885CDK4 12/4885CDK2 20/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885CDK4 20/4885CDK2 34/4885

“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.