SCHEMBL11977226

SCHEMBL11977226

CCc1cn(C2CCCC2)c2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ncc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.68
CCND1 P24385 10/20 0.68
CCND3 P30281 7/20 0.68
CCND2 P30279 6/20 0.68
CSF1R P07333 2/20 0.57
SYK P43405 1/20 0.55
CDK2 P24941 8/20 0.54
CCNA2 P20248 6/20 0.54
CDK9 P50750 2/20 0.54
CDK6 Q00534 2/20 0.54
CCNK O75909 1/20 0.54
EGFR P00533 1/20 0.51
FGFR1 P11362 3/20 0.49
FGFR2 P21802 3/20 0.49
FGFR4 P22455 3/20 0.49
FGFR3 P22607 3/20 0.49
CDK1 P06493 2/20 0.49
CCNA1 P78396 2/20 0.49
CCNE1 P24864 2/20 0.49
CCNB2 O95067 1/20 0.49

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
SCHEMBL14681894 0.90 CDK4 (0.75) CDK4CCND1CCND3CCND2CSF1R
SCHEMBL11976969 0.85 CDK4 (0.68) CDK4CCND1CCND3CCND2CSF1R
SCHEMBL1355734 0.83 CDK4 (0.69) CDK4CCND1CCND3CCND2CSF1R
SCHEMBL12639344 0.83 CDK4 (0.69) CDK4CCND1CCND3CCND2CSF1R
SCHEMBL11977134 0.82 CDK4 (0.73) CDK4CCND1CCND3CCND2CDK2
SCHEMBL11977219 0.82 CDK4 (0.63) CDK4CCND1CCND3CCND2CSF1R
SCHEMBL11976964 0.82 CDK4 (0.63) CDK4CCND1CCND3CCND2CDK2
SCHEMBL11977244 0.81 CDK4 (0.60) CDK4CCND1CCND3CCND2CSF1R
SCHEMBL12595041 0.81 CDK4 (0.73) CDK4CCND1CCND3CCND2CDK2
SCHEMBL5516551 0.80 CDK4 (0.77) 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.