SCHEMBL4188925

SCHEMBL4188925

CC(=O)c1c(C)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.80
CCND1 P24385 17/20 0.80
CCND3 P30281 16/20 0.80
CCND2 P30279 14/20 0.80
CCNA2 P20248 11/20 0.80
CDK2 P24941 11/20 0.80
CCNA1 P78396 8/20 0.80
FGFR1 P11362 6/20 0.80
FGFR2 P21802 6/20 0.80
FGFR4 P22455 6/20 0.80
FGFR3 P22607 6/20 0.80
NUAK1 O60285 2/20 0.80
PDGFRB P09619 1/20 0.80
PDGFRA P16234 1/20 0.80
CCNE2 O96020 5/20 0.68
CCNE1 P24864 5/20 0.68
CCNB2 O95067 4/20 0.68
CDK1 P06493 4/20 0.68
CCNB1 P14635 4/20 0.68
CCNB3 Q8WWL7 4/20 0.68

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
SCHEMBL11977201 0.91 CDK4 (0.81) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL22280544 0.89 CDK4 (1.00) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL31073169 0.89 CDK4 (1.00) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL7712930 0.88 CDK4 (0.80) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4520642 0.85 CDK4 (0.77) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL7711027 0.83 CDK4 (0.75) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL17322466 0.83 CDK4 (1.00) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4348919 0.82 CDK4 (0.73) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL6944231 0.82 CDK4 (1.00) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL13398462 0.82 CDK4 (0.73) CDK4CCND1CCND3CCND2CCNA2

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 11 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
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP 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 4/4885CCND1 615/4885CCND3 782/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CDK4 4/4885CCND1 615/4885CCND3 782/4885

“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.