SCHEMBL12425412

SCHEMBL12425412

CC(C)(C)OC(=O)N1CC2CC1CN2c1ccc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.53
▸ GPR119 Q8TDV5 2/20 0.52
▸ HSD11B1 P28845 1/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ RET P07949 2/20 0.42
▸ F13A1 P00488 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ TGM1 P22735 1/20 0.42
▸ IDH1 O75874 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ AR P10275 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ SPR P35270 1/20 0.38
▸ SRC P12931 3/20 0.38

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
SCHEMBL15249213 1.00 HDAC1 (0.53) HDAC1GPR119HSD11B1PARP1CHRNB2
SCHEMBL30316252 1.00 HDAC1 (0.53) HDAC1GPR119HSD11B1PARP1CHRNB2
SCHEMBL29437386 1.00 HDAC1 (0.53) HDAC1GPR119HSD11B1PARP1CHRNB2
SCHEMBL31106310 1.00 HDAC1 (0.53) HDAC1GPR119HSD11B1PARP1CHRNB2
SCHEMBL22387840 1.00 HDAC1 (0.53) HDAC1GPR119HSD11B1PARP1CHRNB2
SCHEMBL18573301 1.00 HDAC1 (0.53) HDAC1GPR119HSD11B1PARP1CHRNB2
SCHEMBL2301999 0.90 GPR119 (0.47) HDAC1GPR119HSD11B1PARP1CHRNB2
SCHEMBL15034386 0.87 GPR119 (0.53) HDAC1GPR119HSD11B1PARP1CHRNB2
SCHEMBL31459152 0.85 GPR119 (0.52) HDAC1GPR119HSD11B1PARP1CHRNB2
SCHEMBL30248832 0.85 GPR119 (0.52) HDAC1GPR119HSD11B1PARP1CHRNB2

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 14 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
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 HDAC1 466/4885GPR119 2637/4885HSD11B1 2450/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 HDAC1 521/4885GPR119 2573/4885HSD11B1 2556/4885

“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.

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