SCHEMBL11977091

SCHEMBL11977091

Cc1cn(C2CCCC2)c2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cn3)ncc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.58
CCND1 P24385 13/20 0.58
CCND3 P30281 10/20 0.58
CCND2 P30279 8/20 0.58
CDK6 Q00534 7/20 0.54
CCNA2 P20248 4/20 0.54
CDK2 P24941 4/20 0.54
CDK1 P06493 2/20 0.53
CCNB1 P14635 2/20 0.53
CCNT1 O60563 1/20 0.53
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53
CCNH P51946 1/20 0.53
FLT3 P36888 1/20 0.53
CCNA1 P78396 1/20 0.52
TTK P33981 1/20 0.52
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR4 P22455 1/20 0.51
FGFR3 P22607 1/20 0.51

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
SCHEMBL11977089 0.90 CSF1R (0.59) CDK4CCND1CCND3CCND2CDK1
SCHEMBL7706828 0.86 CDK4 (0.73) CDK4CCND1CCND3CCND2CDK6
SCHEMBL11977110 0.86 CDK4 (0.66) CDK4CCND1CCND3CCND2CDK6
SCHEMBL7706831 0.85 CDK4 (0.72) CDK4CCND1CCND3CCND2CDK6
SCHEMBL7712824 0.82 CDK4 (0.67) CDK4CCND1CCND3CCND2CDK6
SCHEMBL11976964 0.81 CDK4 (0.63) CDK4CCND1CCND3CCND2CDK6
SCHEMBL11977229 0.80 CDK4 (0.46) CDK4CCND1CCND3CCND2CDK6
SCHEMBL7714624 0.78 CDK4 (0.70) CDK4CCND1CCND3CCND2CDK6
SCHEMBL11977083 0.78 CDK4 (0.69) CDK4CCND1CCND3CCND2CDK6
SCHEMBL7708879 0.77 CSF1R (0.71) CDK4CCND1CCND3CCND2CDK6

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 5 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-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
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.