SCHEMBL2301362

SCHEMBL2301362

Nc1ccc(N2CCN3C=CCCC3C2=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.36
GCKR Q14397 12/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
GCK P35557 5/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL2302539 0.82 MAPT (0.45) CHRNB2CHRNA4
SCHEMBL2301307 0.77 CDK4 (0.44) CPB1CHRNB2CHRNA4
SCHEMBL2301365 0.76 CDK4 (0.45) CPB1CHRNB2CHRNA4
SCHEMBL18291533 0.70 PIM1 (0.41) CPB1GCKRCHRNB2CHRNA4GCK
SCHEMBL22650390 0.68 ROCK2 (0.38) CPB1GCKRCHRNB2CHRNA4
SCHEMBL22650731 0.66 CHRNB2 (0.35) GCKRCHRNB2CHRNA4GCKALOX5AP
SCHEMBL22650588 0.66 AKR1C3 (0.36) CPB1GCKRCHRNB2CHRNA4GCK
SCHEMBL18291715 0.65 SLC6A2 (0.48) CPB1GCKRCHRNB2CHRNA4GCK
SCHEMBL18291688 0.65 SLC6A2 (0.48) CPB1GCKRCHRNB2CHRNA4GCK
SCHEMBL20255665 0.63 CDK4 (0.43)

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 CPB1 3146/4885GCKR 3501/4885CHRNB2 4867/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 CPB1 3221/4885GCKR 3485/4885CHRNB2 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.