SCHEMBL13616293

SCHEMBL13616293

CC1CN(C2CCCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.60
CDK1 P06493 3/20 0.60
SRC P12931 2/20 0.60
KDR P35968 2/20 0.60
PDGFRB P09619 2/20 0.60
CDK7 P50613 2/20 0.60
AURKA O14965 1/20 0.60
INSR P06213 1/20 0.60
PDGFRA P16234 1/20 0.60
FLT1 P17948 1/20 0.60
FLT4 P35916 1/20 0.60
NTRK2 Q16620 1/20 0.60
RPS6KA6 Q9UK32 1/20 0.58
CCND1 P24385 8/20 0.57
CCNE1 P24864 4/20 0.57
CDK2 P24941 4/20 0.57
CCND2 P30279 4/20 0.57
CCND3 P30281 4/20 0.57
CCNE2 O96020 3/20 0.57
CCNA2 P20248 3/20 0.57

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 0.99 RPS6KA6 (0.59) CDK4CDK1SRCKDRPDGFRB
SCHEMBL13616520 0.95 CDK4 (0.55) CDK4CDK1SRCKDRPDGFRB
SCHEMBL13616093 0.88 RPS6KA6 (0.59) CDK4CDK1RPS6KA6CCND1CCNE1
SCHEMBL13616297 0.88 SYK (0.52) CDK4CDK1SRCKDRPDGFRB
SCHEMBL13616064 0.82 CDK4 (0.61) CDK4CDK1SRCKDRPDGFRB
SCHEMBL11984212 0.78 CDK4 (0.57) CDK4CDK1CCND1CDK2CCND2
SCHEMBL13616167 0.78 CDK2 (0.57) CDK1CCNE1CDK2CDK9PLK1
SCHEMBL11984379 0.77 CDK4 (0.57) CDK4CDK1CCND1CDK2CCND2
SCHEMBL13616286 0.77 CDK4 (0.54) CDK4CDK1CDK7CCND1CDK2
SCHEMBL7714435 0.77 RPS6KA6 (0.63) CDK4CDK1SRCKDRPDGFRB

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 4/4885CDK1 44/4885SRC 419/4885

“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.