SCHEMBL84411

SCHEMBL84411

CC(C)c1ccnc(N[C@@H]2CCCNC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 11/20 0.50
CCNH P51946 11/20 0.50
MNAT1 P51948 11/20 0.50
MAPK10 P53779 1/20 0.47
BRD4 O60885 1/20 0.46
CCNT1 O60563 9/20 0.45
CDK9 P50750 9/20 0.45
CDK2 P24941 7/20 0.45
CCNE1 P24864 6/20 0.45
CDK1 P06493 2/20 0.45
CDK4 P11802 2/20 0.45
CCNB1 P14635 2/20 0.45
CCNA2 P20248 2/20 0.45
CCND1 P24385 2/20 0.45
CCNA1 P78396 2/20 0.45
CCND3 P30281 1/20 0.45
CDK6 Q00534 1/20 0.45
CCNK O75909 6/20 0.44
CDK12 Q9NYV4 6/20 0.44
MKNK1 Q9BUB5 1/20 0.43

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
SCHEMBL10225055 0.89 CDK7 (0.46) CDK7CCNHMNAT1MAPK10BRD4
SCHEMBL84414 0.84 CDK1 (0.54) CCNT1CDK9CDK2CCNE1CDK1
SCHEMBL14383122 0.83 CDK4 (0.59) BRD4CCNT1CDK9CDK2CCNE1
SCHEMBL84078 0.83 CDK1 (0.56) CDK2CCNE1CDK1CDK4CCNB1
SCHEMBL13524818 0.82 BRD4 (0.52) CDK7CCNHMNAT1MAPK10BRD4
SCHEMBL13693348 0.82 BRD4 (0.52) CDK7CCNHMNAT1MAPK10BRD4
SCHEMBL83995 0.81 CDK4 (0.47) CDK7CDK9CDK2CCNE1CDK1
SCHEMBL19477096 0.80 BRD4 (0.47) CDK7CCNHMNAT1MAPK10BRD4
SCHEMBL15185737 0.79 CCNK (0.51) CDK7CCNHMNAT1MAPK10BRD4
SCHEMBL22895721 0.79 CDK7 (0.49) CDK7CCNHMNAT1MAPK10BRD4

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 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.