SCHEMBL16625660

SCHEMBL16625660

CNC(O)c1cc2cnc(Cl)nc2n1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
AURKB Q96GD4 1/20 0.40
CCND1 P24385 16/20 0.39
CDK4 P11802 10/20 0.39
CDK2 P24941 10/20 0.38
CCNE1 P24864 8/20 0.38
CDK6 Q00534 8/20 0.38
CCND3 P30281 2/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CCNA2 P20248 2/20 0.36
PIK3CA P42336 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
CCND2 P30279 1/20 0.34

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
SCHEMBL15032374 0.79 CDK4 (0.40) AURKACDK1AURKBCCND1CDK4
SCHEMBL1995080 0.77 CCND1 (0.37) AURKACDK1AURKBCCND1CDK4
SCHEMBL4189989 0.76 CCNT1 (0.42) CCND1CDK4CDK2CCNE1CDK6
SCHEMBL19711678 0.76 CDK4 (0.51) AURKACDK1AURKBCCND1CDK4
SCHEMBL1988950 0.76 CDK4 (0.52) AURKACDK1AURKBCCND1CDK4
SCHEMBL1991171 0.74 CDK4 (0.50) AURKACDK1AURKBCCND1CDK4
SCHEMBL20425545 0.74 CDK4 (0.45) AURKACDK1AURKBCCND1CDK4
SCHEMBL20676931 0.73 CCND1 (0.42) CCND1CDK4CDK2CCNE1CDK6
SCHEMBL31372001 0.73 CDK4 (0.53) AURKACDK1AURKBCCND1CDK4
SCHEMBL20425411 0.73 CDK4 (0.53) AURKACDK1AURKBCCND1CDK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 US disclosed
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 US disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 US disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 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 (1 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-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 AURKA 347/4885CDK1 11/4885AURKB 294/4885

“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.