SCHEMBL68277

SCHEMBL68277

COc1cc(-c2sc(-c3ccccc3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.46
DBF4 Q9UBU7 9/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
FYN P06241 2/20 0.43
IDO1 P14902 2/20 0.43
TDO2 P48775 2/20 0.43
ADORA1 P30542 1/20 0.41
MAPK14 Q16539 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ATR Q13535 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL15181569 0.85 CDC7 (0.49) CDC7DBF4CCNE1CDK2FYN
SCHEMBL84550 0.85 PTGS2 (0.53) CDC7DBF4FYNADORA1MAPK14
SCHEMBL27915707 0.80 ADORA3 (0.58) CDC7DBF4CCNE1CDK2ADORA1
SCHEMBL68593 0.80 CDC7 (0.46) CDC7DBF4CCNE1CDK2IDO1
SCHEMBL16180674 0.77 MEN1 (0.52) CDC7DBF4CCNE1CDK2MAPK14
SCHEMBL67300 0.76 ATR (0.49) FYNADORA1MAPK14ATR
SCHEMBL11456658 0.76 CDC7 (0.67) CDC7DBF4CCNE1CDK2IDO1
SCHEMBL67025 0.76 MAPK13 (0.61) MAPK14
SCHEMBL16180424 0.75 CDC7 (0.56) CDC7DBF4CCNE1CDK2MAPK14
SCHEMBL67196 0.74 ATR (0.49) FYNADORA1MAPK14ATR

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 13 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
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
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO 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 CDC7 167/4885DBF4 831/4885CCNE1 353/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CDC7 78/4885DBF4 1270/4885CCNE1 487/4885

“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.