SCHEMBL4530869

SCHEMBL4530869

CCC(CC)n1cnc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.59
KDR P35968 5/20 0.56
CDK4 P11802 3/20 0.56
CCND1 P24385 3/20 0.56
CCND2 P30279 3/20 0.56
CCND3 P30281 3/20 0.56
FLT3 P36888 6/20 0.56
CCNB2 O95067 1/20 0.53
CCNE2 O96020 1/20 0.53
CDK1 P06493 1/20 0.53
FGFR1 P11362 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNA2 P20248 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR4 P22455 1/20 0.53
FGFR3 P22607 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
CCNA1 P78396 1/20 0.53
CCNB3 Q8WWL7 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
SCHEMBL4189207 0.87 ALK (0.57) CDK4CCND1CCNE1CDK2ALK
SCHEMBL4189214 0.86 JAK3 (0.49) EGFRKDRCDK4CCND1CCND2
SCHEMBL7713198 0.84 CDK4 (0.62) KDRCDK4CCND1CCND2CCND3
SCHEMBL7714506 0.82 CCND3 (0.55) EGFRKDRCDK4CCND1CCND2
SCHEMBL5263457 0.78 CDK4 (0.80) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL1783576 0.77 CDK4 (0.58) EGFRKDRCDK4CCND1CCND2
SCHEMBL12639276 0.76 CDK4 (0.73) EGFRKDRCDK4CCND1CCND2
SCHEMBL7713641 0.76 CCNE2 (0.58) EGFRKDRCDK4CCND1CCND2
SCHEMBL22343861 0.75 EGFR (0.76) EGFRKDRCDK4CCND1CCND2
SCHEMBL5522592 0.74 EGFR (0.56) EGFRKDRCDK4CCND1CCND2

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 9 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

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 EGFR 1900/4885KDR 1741/4885CDK4 4/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP EGFR 1900/4885KDR 1741/4885CDK4 4/4885

“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.