SCHEMBL15329249

SCHEMBL15329249

CN(C)C(=O)C=Cc1cn(C2CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 12/20 0.36
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
SYK P43405 2/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM5A P29375 1/20 0.33
JAK3 P52333 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL14789416 0.80 CDK5 (0.42) CPB2CDK5CDK5R1KDM2BMEN1
SCHEMBL15328886 0.77 HDAC1 (0.49) MEN1KMT2A
SCHEMBL14789415 0.75 CDK5 (0.44) CPB2CDK5CDK5R1KDM2BMEN1
SCHEMBL14790042 0.75 CDK5 (0.44) CPB2CDK5CDK5R1MEN1ALDH1A1
SCHEMBL14789419 0.74 CDK5 (0.45) CPB2CDK5CDK5R1MEN1ALDH1A1
SCHEMBL15329204 0.74 KDM5A (0.35) CPB2CDK5CDK5R1SYKKDM5A
SCHEMBL14789447 0.72 CDK5 (0.36) CDK5CDK5R1KDM2BMEN1ALDH1A1
SCHEMBL15329242 0.70 CPB2 (0.38) CPB2SYK
SCHEMBL14631062 0.69 CPB2 (0.43) CPB2CDK5CDK5R1KDM2BKDM5A
SCHEMBL12333257 0.69 CPB2 (0.43) CPB2CDK5CDK5R1KDM2BKDM5A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838895-B1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-9096579-B2 Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
EP-2838895-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2015-02-25 EP disclosed
WO-2013156608-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 WO disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US 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 (1 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-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments INMT, IDO1, CHRM1 CPB2 3424/4885CDK5 161/4885CDK5R1 212/4885

“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.