SCHEMBL66549

SCHEMBL66549

Brc1sc(-c2ccccc2)nc1-c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.60
DBF4 Q9UBU7 8/20 0.60
CCNE1 P24864 1/20 0.57
CDK2 P24941 1/20 0.57
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
KDM4E B2RXH2 5/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
AR P10275 1/20 0.49
KMT2A Q03164 1/20 0.49
NOTUM Q6P988 1/20 0.47
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
MAPK14 Q16539 2/20 0.47
GCGR P47871 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL14849638 0.91 PTGDR2 (0.50) CDC7DBF4CCNE1CDK2KDM4E
SCHEMBL11456658 0.81 CDC7 (0.67) CDC7DBF4CCNE1CDK2IDO1
SCHEMBL544858 0.79 CDC7 (0.61) CDC7DBF4CCNE1CDK2IDO1
SCHEMBL16180347 0.79 CDC7 (0.50) CDC7DBF4CCNE1CDK2KDM4E
Bromide SCHEMBL20153254 0.79 SREBF2 (0.57) KDM4ERAB9ANPC1ARKMT2A
SCHEMBL14832763 0.77 ALOX5 (0.41) CDC7DBF4IDO1TDO2KDM4E
SCHEMBL15670872 0.76 KDM4E (0.47) CDC7DBF4IDO1TDO2KDM4E
SCHEMBL16113884 0.76 CDC7 (1.00) CDC7DBF4CCNE1CDK2IDO1
SCHEMBL3147980 0.75 ALDH1A1 (0.44) KDM4EKMT2AMAPK13MAPK12MAPK11
SCHEMBL15978849 0.74 CDC7 (0.55) CDC7DBF4CCNE1CDK2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014172639-A1 RAF KINASE INHIBITORS RUGA CORPORATION (US) 2014-10-23 WO 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-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
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.