SCHEMBL4536896

SCHEMBL4536896

CC(C)c1cn(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cn3)ncc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.63
CDK6 Q00534 15/20 0.63
CCND1 P24385 8/20 0.62
CCND2 P30279 3/20 0.62
CCND3 P30281 3/20 0.62
CDK1 P06493 4/20 0.61
CCNB1 P14635 4/20 0.61
FLT3 P36888 4/20 0.61
CYP3A4 P08684 1/20 0.61
FGFR1 P11362 1/20 0.60
CCNA2 P20248 1/20 0.60
FGFR2 P21802 1/20 0.60
FGFR4 P22455 1/20 0.60
FGFR3 P22607 1/20 0.60
CDK2 P24941 1/20 0.60
CCNA1 P78396 1/20 0.60

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
SCHEMBL7706828 0.88 CDK4 (0.73) CDK4CDK6CCND1CCND2CCND3
SCHEMBL7706831 0.87 CDK4 (0.72) CDK4CDK6CCND1CCND2CCND3
SCHEMBL11977220 0.86 CDK4 (0.71) CDK4CDK6CCND1CCND2CCND3
SCHEMBL11977221 0.86 CDK4 (0.67) CDK4CDK6CCND1CCND2CCND3
SCHEMBL7712824 0.84 CDK4 (0.67) CDK4CDK6CCND1CCND2CCND3
SCHEMBL11976961 0.81 CDK4 (0.71) CDK4CDK6CCND1CCND2CCND3
SCHEMBL30297622 0.81 CDK4 (0.71) CDK4CDK6CCND1CCND2CCND3
SCHEMBL11977138 0.78 CDK4 (0.72) CDK4CDK6CCND1CCND2CCND3
SCHEMBL12639361 0.78 CDK4 (0.71) CDK4CDK6CCND1CCND2CCND3
SCHEMBL25005415 0.78 CDK4 (0.73) CDK4CDK6CCND1CCND2CCND3

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 10 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-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO 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 (2 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
US-20120207763-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.