SCHEMBL13616182

SCHEMBL13616182

CC1CN(c2nccs2)c2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cn3)ncc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.46
CDK6 Q00534 15/20 0.46
CCND1 P24385 12/20 0.46
CCND3 P30281 10/20 0.46
CCNA2 P20248 9/20 0.46
CDK2 P24941 5/20 0.46
CDK1 P06493 5/20 0.46
CCNT1 O60563 2/20 0.46
CDK7 P50613 2/20 0.46
CDK9 P50750 2/20 0.46
CCNH P51946 2/20 0.46
CCNB1 P14635 1/20 0.46
CCNE1 P24864 2/20 0.41
MNAT1 P51948 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
PTK2 Q05397 1/20 0.40
CCND2 P30279 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL11984280 0.86 CDK4 (0.50) CDK4CDK6CCND1CCND3CCNA2
SCHEMBL13616286 0.81 CDK4 (0.54) CDK4CDK6CCND1CCND3CCNA2
SCHEMBL11977229 0.77 CDK4 (0.46) CDK4CDK6CCND1CCND3CCNA2
SCHEMBL11984252 0.71 CDK4 (0.51) CDK4CDK6CCND1CCND3CCNA2
SCHEMBL13616297 0.70 SYK (0.52) CDK4CCND1CCND3CCNA2CDK2
SCHEMBL13616299 0.69 CCND3 (0.46) CDK4CDK6CCND1CCND3CCNA2
SCHEMBL11984379 0.67 CDK4 (0.57) CDK4CDK6CCND1CCND3CCNA2
SCHEMBL11984383 0.67 CDK4 (0.55) CDK4CDK6CCND1CCND3CCNA2
SCHEMBL29557404 0.67 CDK4 (0.58) CDK4CDK6CCND1CCND3CCNA2
SCHEMBL11984212 0.67 CDK4 (0.57) CDK4CDK6CCND1CCND3CCNA2

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 4/4885CDK6 28/4885CCND1 615/4885

“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.