SCHEMBL11977060

SCHEMBL11977060

CC1CCCC(n2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.65
AURKA O14965 5/20 0.65
CDK1 P06493 3/20 0.65
INSR P06213 1/20 0.65
PDGFRB P09619 1/20 0.65
SRC P12931 1/20 0.65
PDGFRA P16234 1/20 0.65
FLT1 P17948 1/20 0.65
FLT4 P35916 1/20 0.65
KDR P35968 1/20 0.65
CDK7 P50613 1/20 0.65
NTRK2 Q16620 1/20 0.65
CCND1 P24385 14/20 0.62
CCND2 P30279 10/20 0.62
CCND3 P30281 10/20 0.62
CCNA2 P20248 9/20 0.62
CDK2 P24941 9/20 0.62
FGFR1 P11362 7/20 0.62
FGFR2 P21802 7/20 0.62
FGFR4 P22455 7/20 0.62

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
SCHEMBL11977056 0.94 CDK4 (0.61) CDK4AURKACDK1INSRPDGFRB
SCHEMBL7709789 0.89 CDK4 (0.77) CDK4AURKACDK1INSRPDGFRB
SCHEMBL11977064 0.89 CDK4 (0.63) CDK4AURKACDK1INSRPDGFRB
SCHEMBL11977057 0.89 CDK4 (0.66) CDK4AURKACDK1INSRPDGFRB
SCHEMBL11977049 0.88 CDK4 (0.79) CDK4AURKACDK1INSRPDGFRB
SCHEMBL11977066 0.88 CDK4 (0.79) CDK4AURKACDK1INSRPDGFRB
SCHEMBL11977061 0.86 CDK4 (0.63) CDK4AURKACDK1INSRPDGFRB
SCHEMBL11977067 0.85 CDK4 (0.60) CDK4AURKACDK1INSRPDGFRB
SCHEMBL11977052 0.84 CDK4 (0.74) CDK4AURKACDK1INSRPDGFRB
SCHEMBL11977072 0.83 CDK4 (0.58) CDK4AURKACDK1INSRPDGFRB

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-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
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 4/4885AURKA 622/4885CDK1 44/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CDK4 4/4885AURKA 622/4885CDK1 44/4885

“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.