SCHEMBL2299587

SCHEMBL2299587

O=C1CC2(CC3CCC(C2)N3C(=O)O)CN1c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
MAPT P10636 5/20 0.39
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CDK4 P11802 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
ITGB3 P05106 4/20 0.32
ITGA2B P08514 4/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL2299580 1.00 CHRNB2 (0.40) CHRNB2CHRNA4MAPTRAB9APOLB
SCHEMBL15032373 0.86 GPR119 (0.37) CHRNB2CHRNA4MAPTRAB9ACDK4
SCHEMBL15012206 0.84 CDK4 (0.37) CHRNB2CHRNA4CDK4ITGB3ITGA2B
SCHEMBL2358657 0.79 CHRNB2 (0.45) CHRNB2CHRNA4MAPTRAB9APOLB
SCHEMBL2358653 0.79 CHRNB2 (0.45) CHRNB2CHRNA4MAPTRAB9APOLB
SCHEMBL23089380 0.76 MAPT (0.59) CHRNB2CHRNA4MAPTRAB9APOLB
SCHEMBL2302516 0.71 MAPT (0.45) MAPTPOLBSMN1; SMN2ITGB3ITGA2B
SCHEMBL2298636 0.70 CHRM2 (0.39) CDK4ITGB3ITGA2B
SCHEMBL2305819 0.70 CHRNB2 (0.41) CHRNB2CHRNA4MAPTRAB9APOLB
SCHEMBL20484005 0.69 MAPT (0.66) CHRNB2CHRNA4MAPTRAB9APOLB

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 CHRNB2 4867/4885CHRNA4 4734/4885MAPT 4000/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 CHRNB2 4868/4885CHRNA4 4722/4885MAPT 3975/4885

“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.