SCHEMBL69017

SCHEMBL69017

COc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccnc(NC3CCCNC3)n2)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 3/20 0.46
CCNH P51946 3/20 0.46
MNAT1 P51948 3/20 0.46
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ERN1 O75460 10/20 0.41
MAPK10 P53779 4/20 0.41
MAPK13 O15264 2/20 0.40
RAF1 P04049 2/20 0.40
MAPK9 P45984 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
CCNT1 O60563 2/20 0.39
CCNK O75909 2/20 0.39
CDK9 P50750 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
PRKCZ Q05513 3/20 0.39
PRKD2 Q9BZL6 3/20 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
SCHEMBL69016 1.00 CDK7 (0.46) CDK7CCNHMNAT1MKNK1MKNK2
SCHEMBL69317 0.84 EIF2AK2 (0.43) MAPK10MAPK9MAPK14PRKD2
SCHEMBL67602 0.84 MAPK14 (0.52) MKNK1MAPK10MAPK13RAF1MAPK9
SCHEMBL68164 0.83 MAPK14 (0.44) MAPK10MAPK9MAPK14
SCHEMBL84563 0.83 MAP3K11 (0.37) ERN1MAPK10MAPK13RAF1MAPK9
SCHEMBL87624 0.83 MAP3K11 (0.37) ERN1MAPK10MAPK13RAF1MAPK9
SCHEMBL67762 0.81 BRAF (0.44) MAPK10MAPK9MAPK11MAPK14
SCHEMBL67761 0.81 BRAF (0.44) MAPK10MAPK9MAPK11MAPK14
SCHEMBL91336 0.80 BRAF (0.42) MAPK10MAPK9MAPK11MAPK14
SCHEMBL69212 0.80 BRAF (0.41) MAPK10MAPK9MAPK11MAPK14

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 CDK7 57/4885CCNH 455/4885MNAT1 250/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CDK7 53/4885CCNH 522/4885MNAT1 453/4885

“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.