SCHEMBL2301999

SCHEMBL2301999

CC(C)(C)OC(=O)N1CC2CC1CN2c1ccc(N)nc1.CC(C)(C)OC(=O)N1CC2CC1CN2c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.47
▸ HDAC1 Q13547 2/20 0.46
▸ CHRNB2 P17787 2/20 0.45
▸ CHRNA4 P43681 2/20 0.45
▸ HSD11B1 P28845 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ PARP1 P09874 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ RET P07949 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 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
SCHEMBL18573434 0.94 GPR119 (0.52) GPR119HDAC1CHRNB2CHRNA4HSD11B1
SCHEMBL15249212 0.94 GPR119 (0.52) GPR119HDAC1CHRNB2CHRNA4HSD11B1
SCHEMBL29437362 0.94 GPR119 (0.52) GPR119HDAC1CHRNB2CHRNA4HSD11B1
SCHEMBL19783915 0.94 GPR119 (0.52) GPR119HDAC1CHRNB2CHRNA4HSD11B1
SCHEMBL2299598 0.94 GPR119 (0.52) GPR119HDAC1CHRNB2CHRNA4HSD11B1
SCHEMBL18493958 0.94 GPR119 (0.52) GPR119HDAC1CHRNB2CHRNA4HSD11B1
SCHEMBL15249213 0.90 HDAC1 (0.53) GPR119HDAC1CHRNB2CHRNA4HSD11B1
SCHEMBL22387840 0.90 HDAC1 (0.53) GPR119HDAC1CHRNB2CHRNA4HSD11B1
SCHEMBL18573301 0.90 HDAC1 (0.53) GPR119HDAC1CHRNB2CHRNA4HSD11B1
SCHEMBL31106310 0.90 HDAC1 (0.53) GPR119HDAC1CHRNB2CHRNA4HSD11B1

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 7 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
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 GPR119 2637/4885HDAC1 466/4885CHRNB2 4867/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 GPR119 2573/4885HDAC1 521/4885CHRNB2 4868/4885

“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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