SCHEMBL15032374

SCHEMBL15032374

CC(c1cc2cnc(Cl)nc2n1C1CCCC1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.40
CCND1 P24385 9/20 0.40
CDK9 P50750 5/20 0.40
CCNT1 O60563 4/20 0.40
CDK1 P06493 2/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
CDK2 P24941 5/20 0.36
CCNE1 P24864 3/20 0.36
CCND3 P30281 3/20 0.36
CDK6 Q00534 2/20 0.36
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
CCNA2 P20248 1/20 0.35
EGFR P00533 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
SCHEMBL16625660 0.79 AURKA (0.40) CDK4CCND1CDK9CCNT1CDK1
SCHEMBL1995080 0.78 CCND1 (0.37) CDK4CCND1CDK9CCNT1CDK1
SCHEMBL4189989 0.77 CCNT1 (0.42) CDK4CCND1CDK9CCNT1CDK2
SCHEMBL20676931 0.74 CCND1 (0.42) CDK4CCND1CDK9CCNT1CDK2
SCHEMBL1990321 0.74 CDK4 (0.67) CDK4CCND1CDK9CCNT1CDK1
SCHEMBL29988033 0.74 CDK4 (0.67) CDK4CCND1CDK9CCNT1CDK1
SCHEMBL27927200 0.74 NUAK1 (0.40) CDK4CCND1CDK9CCNT1CDK2
SCHEMBL6363390 0.74 CTSK (0.48) CDK4CCND1CDK9CCNT1CDK1
SCHEMBL2301318 0.73 CDK4 (0.69) CDK4CCND1CDK9CCNT1CDK1
SCHEMBL2299575 0.73 CDK4 (0.69) CDK4CCND1CDK9CCNT1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 US disclosed
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 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-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 CDK4 1/4885CCND1 5/4885CDK9 24/4885

“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.