SCHEMBL4191054

SCHEMBL4191054

Cc1cn(-c2ccccn2)c2nc(Nc3ccc(N4CCNCC4)cn3)ncc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 15/20 0.57
CCND3 P30281 3/20 0.57
CCNK O75909 1/20 0.57
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
CDK9 P50750 1/20 0.57
CDK4 P11802 17/20 0.56
CCND1 P24385 6/20 0.56
CCND2 P30279 2/20 0.56
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
FLT3 P36888 1/20 0.53

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
SCHEMBL11977230 0.86 CDK4 (0.61) CDK6CCND3CCNKCCNA2CDK2
SCHEMBL11977132 0.85 CDK4 (0.56) CDK6CCND3CCNKCCNA2CDK2
SCHEMBL11977131 0.85 CDK4 (0.56) CDK6CCND3CCNKCCNA2CDK2
SCHEMBL11977133 0.84 CDK4 (0.56) CDK6CCND3CCNKCCNA2CDK2
SCHEMBL11977129 0.83 CDK4 (0.55) CDK6CCND3CCNKCCNA2CDK2
SCHEMBL7712824 0.80 CDK4 (0.67) CDK6CCND3CCNKCCNA2CDK2
SCHEMBL7706828 0.79 CDK4 (0.73) CDK6CCND3CCNKCCNA2CDK2
SCHEMBL7706831 0.78 CDK4 (0.72) CDK6CCND3CCNKCCNA2CDK2
SCHEMBL11977081 0.77 CDK4 (0.61) CDK6CCND3CCNA2CDK2CDK9
SCHEMBL11977130 0.76 CDK4 (0.59) CDK6CCND3CCNA2CDK2CDK9

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 12 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
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 CDK6 28/4885CCND3 782/4885CCNK 73/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CDK6 28/4885CCND3 782/4885CCNK 73/4885

“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.