SCHEMBL68690

SCHEMBL68690

COc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccnc(NC3CCN(C(C)=O)C3)n2)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.47
MAPK8 P45983 3/20 0.47
MAPK9 P45984 3/20 0.47
GSK3B P49841 2/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
MAPK1 P28482 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
GSK3A P49840 1/20 0.47
CSNK1G2 P78368 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
CSNK1G1 Q9HCP0 1/20 0.47
CSNK1G3 Q9Y6M4 1/20 0.47
CDK1 P06493 5/20 0.42
CDK4 P11802 5/20 0.42
CCND1 P24385 5/20 0.42

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
SCHEMBL69402 1.00 CDK2 (0.47) CDK2MAPK8MAPK9GSK3BPRKD3
SCHEMBL68689 1.00 CDK2 (0.47) CDK2MAPK8MAPK9GSK3BPRKD3
SCHEMBL67706 0.88 POLB (0.41) CDK2MAPK8MAPK9GSK3BPRKD3
SCHEMBL67707 0.88 POLB (0.41) CDK2MAPK8MAPK9GSK3BPRKD3
SCHEMBL67728 0.88 CDK4 (0.48) CDK2MAPK8GSK3BGSK3ATAOK1
SCHEMBL67727 0.88 CDK4 (0.48) CDK2MAPK8GSK3BGSK3ATAOK1
SCHEMBL69453 0.88 CDK4 (0.48) CDK2MAPK8GSK3BGSK3ATAOK1
SCHEMBL69317 0.86 EIF2AK2 (0.43) CDK2MAPK8MAPK9GSK3BPRKD3
SCHEMBL87859 0.85 CDK2 (0.45) CDK2MAPK8MAPK9GSK3BPRKD3
SCHEMBL68164 0.85 MAPK14 (0.44) CDK2MAPK8MAPK9CDK1CDK4

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 CDK2 20/4885MAPK8 181/4885MAPK9 425/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CDK2 34/4885MAPK8 82/4885MAPK9 220/4885

“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.