SCHEMBL4531890

SCHEMBL4531890

CC(=O)c1cn(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.68
CCND1 P24385 13/20 0.68
CCNA2 P20248 8/20 0.68
CDK2 P24941 8/20 0.68
FGFR1 P11362 5/20 0.68
FGFR2 P21802 5/20 0.68
FGFR4 P22455 5/20 0.68
FGFR3 P22607 5/20 0.68
CCND3 P30281 14/20 0.66
CCND2 P30279 11/20 0.66
CCNA1 P78396 6/20 0.66
NUAK1 O60285 2/20 0.66
PDGFRB P09619 1/20 0.66
PDGFRA P16234 1/20 0.66
CSF1R P07333 2/20 0.64
CDK6 Q00534 2/20 0.60
CCNE2 O96020 4/20 0.60
CCNE1 P24864 4/20 0.60
CCNB2 O95067 3/20 0.60
CDK1 P06493 3/20 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
SCHEMBL11977134 0.86 CDK4 (0.73) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL7713061 0.86 CDK4 (0.71) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL7710738 0.85 CDK4 (0.70) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL7713224 0.82 CDK4 (0.65) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL7712930 0.81 CDK4 (0.80) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL4188925 0.81 CDK4 (0.80) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL22280544 0.79 CDK4 (1.00) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL31073169 0.79 CDK4 (1.00) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL7710732 0.79 CDK4 (0.74) CDK4CCND1CDK2FGFR1FGFR2
SCHEMBL4791572 0.79 CSF1R (0.86) CDK4CCND1CCNA2CDK2FGFR1

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 8 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-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

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 615/4885CCNA2 213/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CDK4 4/4885CCND1 615/4885CCNA2 213/4885

“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.