SCHEMBL2302844

SCHEMBL2302844

O=C1O[C@@]2(C[C@H]3CC[C@@H](C2)N3)CN1c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.44
MAPT P10636 5/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.32
NPY5R Q15761 1/20 0.32
TRPV4 Q9HBA0 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
SCHEMBL2302846 1.00 CDK4 (0.44) CDK4MAPTRAB9APOLBCHRNB2
SCHEMBL2303454 0.83 CDK4 (0.47) CDK4CHRNB2CHRNA4KCNH2NPY5R
SCHEMBL2300571 0.83 CDK4 (0.47) CDK4CHRNB2CHRNA4KCNH2NPY5R
SCHEMBL2300558 0.77 CDK4 (0.45) CDK4MAPTRAB9APOLBCHRNB2
SCHEMBL12426800 0.76 CDK4 (0.40) CDK4MAPTRAB9APOLBSMN1; SMN2
SCHEMBL31072982 0.72 MAPT (0.64) MAPTRAB9APOLBCHRNB2CHRNA4
SCHEMBL5380119 0.72 MAPT (0.64) MAPTRAB9APOLBCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5036857 0.71 MAPT (0.63) MAPTRAB9APOLBCHRNB2CHRNA4
SCHEMBL12425416 0.70 MAPT (0.44) MAPTRAB9APOLBSMN1; SMN2
SCHEMBL2302568 0.68 MAPT (0.40) CDK4MAPTRAB9APOLBSMN1; SMN2

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 CDK4 1/4885MAPT 4000/4885RAB9A 1584/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 CDK4 1/4885MAPT 3975/4885RAB9A 1584/4885

“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.