SCHEMBL2298732

SCHEMBL2298732

OCc1cc2cnc(Cl)nc2n1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.50
CTSS P25774 5/20 0.50
CDK1 P06493 3/20 0.46
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
CCND1 P24385 9/20 0.41
CDK4 P11802 7/20 0.41
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
CDK6 Q00534 4/20 0.39
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
CCND3 P30281 1/20 0.36
EGFR P00533 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
RB1 P06400 1/20 0.35

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
SCHEMBL2305744 1.00 CTSK (0.50) CTSKCTSSCDK1AURKAAURKB
SCHEMBL2685547 0.99 CTSK (0.48) CTSKCTSSCDK1AURKAAURKB
SCHEMBL2358413 0.85 CTSK (0.39) CTSKCTSSCDK1AURKAAURKB
SCHEMBL6363390 0.85 CTSK (0.48) CTSKCTSSCDK1AURKAAURKB
SCHEMBL2921528 0.79 CDK1 (0.46) CTSKCTSSCDK1AURKAAURKB
SCHEMBL1991171 0.78 CDK4 (0.50) CDK1AURKAAURKBCCND1CDK4
SCHEMBL22174830 0.78 CDK4 (0.49) CDK1AURKAAURKBCCND1CDK4
SCHEMBL19711678 0.77 CDK4 (0.51) CDK1AURKAAURKBCCND1CDK4
SCHEMBL4189989 0.77 CCNT1 (0.42) CTSKCTSSCCND1CDK4CCNE1
SCHEMBL20676931 0.77 CCND1 (0.42) CTSKCTSSCCND1CDK4CCNE1

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 8 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
EP-2536730-B1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-07-08 EP disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 US disclosed
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 US disclosed
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 US disclosed
CN-102918043-A Pyrrolopyrimidine compounds as CDK4/6 inhibitors NOVARTIS AG 2013-02-06 CN disclosed
EP-2536730-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 Novartis AG (CH) 2012-12-26 EP disclosed
WO-2011101409-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2011-08-25 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-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 CTSK 4091/4885CTSS 3976/4885CDK1 11/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 CTSK 4095/4885CTSS 3949/4885CDK1 11/4885

“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.