SCHEMBL13616185

SCHEMBL13616185

CC1CN(C2CCCCC2)c2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)ncc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.51
CCND1 P24385 6/20 0.51
CDK6 Q00534 6/20 0.51
CCND3 P30281 4/20 0.49
CCND2 P30279 3/20 0.49
TTK P33981 2/20 0.47
PLK1 P53350 1/20 0.47
CDK2 P24941 2/20 0.47
SYK P43405 1/20 0.45
CDK12 Q9NYV4 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK9 P50750 1/20 0.44
ALK Q9UM73 2/20 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
SCHEMBL14681895 0.85 CDK4 (0.55) CDK4CCND1CDK6CCND3CCND2
SCHEMBL13616299 0.84 CCND3 (0.46) CDK4CCND1CDK6CCND3CCND2
SCHEMBL13616300 0.83 CCND3 (0.49) CDK4CCND1CDK6CCND3CCND2
SCHEMBL21158419 0.82 CDK4 (0.54) CDK4CCND1CDK6CCND3CCND2
SCHEMBL13616286 0.82 CDK4 (0.54) CDK4CCND1CDK6CCND3CCND2
SCHEMBL11984212 0.82 CDK4 (0.57) CDK4CCND1CDK6CCND3CCND2
SCHEMBL12639355 0.81 CDK4 (0.58) CDK4CCND1CDK6CCND3CCND2
SCHEMBL11984379 0.81 CDK4 (0.57) CDK4CCND1CDK6CCND3CCND2
SCHEMBL7712932 0.80 MARK3 (0.53) CDK4CCND1CDK6CCND3CCND2
SCHEMBL11976960 0.79 CDK4 (0.55) CDK4CCND1CDK6CCND3CCND2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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 (1 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP CDK4 4/4885CCND1 615/4885CDK6 28/4885

“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.