SCHEMBL84367

SCHEMBL84367

COCC(=O)N1CCC[C@@H](Nc2nccc(C(C)C)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK12 Q9NYV4 4/20 0.46
CCNK O75909 3/20 0.45
GFER P55789 2/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
JAK3 P52333 2/20 0.42
GAA P10253 1/20 0.42
JAK2 O60674 1/20 0.41
MAPK10 P53779 2/20 0.41

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
SCHEMBL13524636 0.87 CDK12 (0.48) CDK12CCNKGFERPOLBKMT2A
SCHEMBL84472 0.79 JAK3 (0.44) CDK12CCNKJAK3JAK2MAPK10
SCHEMBL1089975 0.76 CDK12 (0.47) CDK12CCNKMAPK10
SCHEMBL1088828 0.76 CDK12 (0.46) CDK12CCNKMAPK10
SCHEMBL1089830 0.74 CXCR4 (0.49) CDK12CCNKMAPK10
SCHEMBL84374 0.74 HRH4 (0.40) JAK3JAK2
SCHEMBL84414 0.74 CDK1 (0.54) JAK3GAAJAK2
SCHEMBL1090314 0.73 CXCR4 (0.47) CDK12CCNKJAK3JAK2
SCHEMBL84078 0.72 CDK1 (0.56) JAK3GAAJAK2
SCHEMBL30443332 0.72 CDK12 (0.49) CDK12CCNKJAK3JAK2

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 6 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-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
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 CDK12 201/4885CCNK 146/4885GFER 3699/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CDK12 209/4885CCNK 112/4885GFER 3816/4885

“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.