SCHEMBL4194084

SCHEMBL4194084

CCC(CC)n1cnc2cnc(Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CCNA1 P78396 3/20 0.32
CDK5 Q00535 3/20 0.32
DYRK1A Q13627 3/20 0.32
CDK5R1 Q15078 3/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
GRM1 Q13255 1/20 0.32
CDK1 P06493 1/20 0.31
MET P08581 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL27538550 0.87 ADORA2A (0.44) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL1496411 0.81 CDK2 (0.46) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL21311363 0.81 KDM4E (0.42) CDK2ADORA2AADORA2BADORA1PIK3CA
SCHEMBL28704049 0.79 FGFR1 (0.32) FGFR1FGFR4
SCHEMBL111660 0.77 KDM4E (0.36) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL5839419 0.75 FGFR1 (0.40) CDK2ADORA2AADORA1FGFR1FGFR4
SCHEMBL30148781 0.74 CDK1 (0.41) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL1913380 0.74 CDK1 (0.41) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL4187054 0.74 DHFR (0.33)
SCHEMBL29141665 0.72 ADORA2A (0.41) CDK2ADORA2AADORA2BADORA1FGFR1

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-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
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
CN-1298719-C Purine derivatives, process for their preparation and pharmaceutical compositions containing them EIWENTIS MEDICAMENT (FR) 2007-02-07 CN disclosed
CN-1361780-A Purine derivatives, preparation method and pharmaceutical compositions containing same EIWENTIS MEDICAMENT (FR) 2002-07-31 CN 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 CCNA2 213/4885CDK2 5/4885CCNA1 357/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CCNA2 213/4885CDK2 5/4885CCNA1 357/4885

“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.