SCHEMBL11977035

SCHEMBL11977035

CCC(CC)n1ccc2cnc(NC3CCCC3)nc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 9/20 0.56
CDK4 P11802 6/20 0.56
CCND2 P30279 1/20 0.56
CCND3 P30281 1/20 0.56
MAPK8 P45983 10/20 0.47
MAPK10 P53779 9/20 0.47
MAPK9 P45984 8/20 0.47
CCNE1 P24864 7/20 0.46
CDK2 P24941 7/20 0.46
CDK6 Q00534 7/20 0.46
CCNT1 O60563 4/20 0.44
CDK9 P50750 4/20 0.44
FGFR1 P11362 1/20 0.41

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
SCHEMBL11976959 0.95 CCND1 (0.49) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL7712598 0.78 AURKA (0.51) CDK2
SCHEMBL4359995 0.72 CCND1 (1.00) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL14327304 0.70 CDK2 (0.46) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL24670367 0.69 CCND1 (0.72) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL3304431 0.69 CCND1 (0.72) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL7713198 0.69 CDK4 (0.62) CCND1CDK4CCND2CCND3CCNE1
SCHEMBL16802573 0.69 MAPK8 (0.82) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL11976956 0.69 JAK2 (0.57)
SCHEMBL4200615 0.69 CDK4 (0.49) CCND1CDK4CCND2CCND3CCNE1

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 6 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

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 CCND1 615/4885CDK4 4/4885CCND2 629/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CCND1 615/4885CDK4 4/4885CCND2 629/4885

“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.