SCHEMBL13616520

SCHEMBL13616520

CC1CN(C2CC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.55
CCND1 P24385 5/20 0.55
CCND2 P30279 4/20 0.55
CCND3 P30281 4/20 0.55
RPS6KA6 Q9UK32 1/20 0.54
EGFR P00533 3/20 0.53
AURKA O14965 3/20 0.52
CDK1 P06493 2/20 0.52
SRC P12931 2/20 0.52
KDR P35968 2/20 0.52
INSR P06213 1/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
CDK7 P50613 1/20 0.52
NTRK2 Q16620 1/20 0.52
CCNE2 O96020 3/20 0.51
CCNE1 P24864 3/20 0.51
CDK2 P24941 3/20 0.51

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
SCHEMBL11976974 0.96 RPS6KA6 (0.59) CDK4CCND1CCND2CCND3RPS6KA6
SCHEMBL13616293 0.95 CDK4 (0.60) CDK4CCND1CCND2CCND3RPS6KA6
SCHEMBL13616093 0.85 RPS6KA6 (0.59) CDK4CCND1CCND2CCND3RPS6KA6
SCHEMBL13616297 0.84 SYK (0.52) CDK4CCND1CCND2CCND3RPS6KA6
SCHEMBL13616064 0.78 CDK4 (0.61) CDK4CCND1CCND2CCND3RPS6KA6
SCHEMBL11984383 0.77 CDK4 (0.55) CDK4CCND1CCND2CCND3CDK1
SCHEMBL11976916 0.75 CDK4 (0.60) CDK4CCND1CCND2CCND3RPS6KA6
SCHEMBL13616167 0.74 CDK2 (0.57) CDK1CCNE1CDK2CDK9
SCHEMBL11984379 0.73 CDK4 (0.57) CDK4CCND1CCND2CCND3CDK1
SCHEMBL13616286 0.73 CDK4 (0.54) CDK4CCND1CCND2CCND3CDK1

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 615/4885CCND2 629/4885

“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.