SCHEMBL11977088

SCHEMBL11977088

Cc1cn(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.61
CCND1 P24385 16/20 0.61
CCND3 P30281 11/20 0.61
CCND2 P30279 10/20 0.61
CDK2 P24941 7/20 0.56
CDK1 P06493 5/20 0.56
CCNB1 P14635 5/20 0.56
CCNE1 P24864 5/20 0.56
FGFR1 P11362 3/20 0.56
FGFR2 P21802 3/20 0.56
FGFR4 P22455 3/20 0.56
FGFR3 P22607 3/20 0.56
NUAK1 O60285 1/20 0.56
CDK6 Q00534 3/20 0.49
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
CCNA2 P20248 4/20 0.49
CSF1R P07333 1/20 0.49
CCNB2 O95067 2/20 0.48
CCNE2 O96020 2/20 0.48

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
SCHEMBL6945765 0.85 CDK4 (0.83) CDK4CCND1CCND3CCND2CDK1
SCHEMBL7713061 0.85 CDK4 (0.71) CDK4CCND1CCND3CCND2CDK2
SCHEMBL7710738 0.84 CDK4 (0.70) CDK4CCND1CCND3CCND2CDK2
SCHEMBL11977086 0.84 CDK4 (0.64) CDK4CCND1CCND3CCND2CDK2
SCHEMBL20418760 0.82 CDK4 (0.58) CDK4CCND1CCND3CCND2CDK2
SCHEMBL6942106 0.81 CDK4 (0.79) CDK4CCND1CCND3CCND2CDK2
SCHEMBL7713224 0.81 CDK4 (0.65) CDK4CCND1CCND3CCND2CDK2
SCHEMBL6945279 0.80 CDK4 (0.77) CDK4CCND1CCND3CCND2CDK2
SCHEMBL11977227 0.80 CDK4 (0.50) CDK4CCND1CCND3CCND2CDK1
SCHEMBL11977124 0.79 CDK4 (0.55) CDK4CCND1CCND3CCND2CDK2

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 7 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-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
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.