SCHEMBL13616460

SCHEMBL13616460

c1cc(N2CCNCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.58
CCND1 P24385 14/20 0.58
CDK2 P24941 10/20 0.58
CCNA2 P20248 9/20 0.58
FGFR1 P11362 8/20 0.58
FGFR2 P21802 8/20 0.58
FGFR4 P22455 8/20 0.58
FGFR3 P22607 8/20 0.58
CCND2 P30279 8/20 0.58
CCND3 P30281 8/20 0.58
CDK6 Q00534 5/20 0.58
CCNA1 P78396 4/20 0.58
CCNE1 P24864 4/20 0.58
CCNE2 O96020 3/20 0.58
RPS6KA6 Q9UK32 1/20 0.55
CDK1 P06493 3/20 0.54
CCNB1 P14635 3/20 0.54
NUAK1 O60285 1/20 0.54
CCNB2 O95067 2/20 0.52
CCNB3 Q8WWL7 2/20 0.52

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
SCHEMBL13616064 0.88 CDK4 (0.61) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL11984270 0.88 CDK4 (0.61) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL5868578 0.83 CDK4 (0.56) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL13616093 0.81 RPS6KA6 (0.59) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL30707840 0.81 CDK4 (0.55) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL25046158 0.81 RPS6KA6 (0.57) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL3971271 0.80 RPS6KA6 (0.63) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL13616301 0.79 CDK4 (0.62) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL11984301 0.77 RPS6KA6 (0.57) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL22184679 0.77 CDK4 (0.56) CDK4CCND1CDK2CCNA2FGFR1

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 615/4885CDK2 5/4885

“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.