SCHEMBL2299597

SCHEMBL2299597

CC(C)(C)OC(=O)N1C2CCC1CN(c1ccc(N)nc1)C(=O)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
HDAC1 Q13547 2/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GPR119 Q8TDV5 3/20 0.41
CDK4 P11802 3/20 0.39
JAK1 P23458 2/20 0.38
PREP P48147 1/20 0.37
KCNK3 O14649 5/20 0.36
KCNK9 Q9NPC2 5/20 0.36
ROCK2 O75116 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL2301617 1.00 HSD11B1 (0.45) HSD11B1HDAC1CHRM2CHRM1CHRM3
SCHEMBL2302979 0.89 KCNK3 (0.39) HSD11B1HDAC1CHRM2CHRM1CHRM3
SCHEMBL15034395 0.89 HSD11B1 (0.45) HSD11B1HDAC1CHRM2CHRM1CHRM3
SCHEMBL2305956 0.86 HDAC1 (0.52) HSD11B1HDAC1CHRM2CHRM1CHRM3
SCHEMBL29736294 0.86 HDAC1 (0.52) HSD11B1HDAC1CHRM2CHRM1CHRM3
SCHEMBL16882830 0.86 HSD11B1 (0.43) HSD11B1HDAC1CHRM2CHRM1CHRM3
SCHEMBL2302628 0.86 HSD11B1 (0.42) HSD11B1HDAC1CHRM2CHRM1CHRM3
SCHEMBL2305824 0.85 HSD11B1 (0.44) HSD11B1HDAC1CHRM2CHRM1CHRM3
SCHEMBL2302659 0.85 HSD11B1 (0.44) HSD11B1HDAC1CHRM2CHRM1CHRM3
SCHEMBL2299688 0.85 HSD11B1 (0.44) HSD11B1HDAC1CHRM2CHRM1CHRM3

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 16 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-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-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
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 US disclosed
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 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
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
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
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 HSD11B1 2450/4885HDAC1 466/4885CHRM2 4024/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 HSD11B1 2556/4885HDAC1 521/4885CHRM2 4019/4885

“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.