SCHEMBL2299526

SCHEMBL2299526

CC(C)(C)OC(=O)N1CCCC2(CC1)CNC(=O)O2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 6/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
DRD1 P21728 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL371222 0.95 USP2 (0.45) USP2SMN1; SMN2GPR119MAPTKDM4E
SCHEMBL2305761 0.90 USP2 (0.38) USP2SMN1; SMN2MAPTKDM4ETHRB
SCHEMBL8152684 0.87 USP2 (0.40) USP2SMN1; SMN2GPR119MAPTKDM4E
SCHEMBL12184487 0.83 GPR119 (0.44) USP2SMN1; SMN2GPR119MAPTKDM4E
SCHEMBL20355326 0.81 USP2 (0.41) USP2SMN1; SMN2GPR119MAPTKDM4E
SCHEMBL1967958 0.78 USP2 (0.50) USP2SMN1; SMN2GPR119MAPTKDM4E
SCHEMBL18785477 0.78 USP2 (0.44) USP2SMN1; SMN2GPR119MAPTKDM4E
SCHEMBL3493829 0.78 GPR119 (0.44) USP2SMN1; SMN2GPR119MAPTKDM4E
SCHEMBL4258590 0.77 LMNA (0.40) MAPTDDB1CRBNKMT2ALMNA
SCHEMBL2143219 0.77 USP2 (0.43) USP2SMN1; SMN2GPR119MAPTKDM4E

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 11 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
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
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 USP2 3592/4885SMN1; SMN2 2345/4885GPR119 2637/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 USP2 3584/4885SMN1; SMN2 2422/4885GPR119 2573/4885

“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.