SCHEMBL16200890

SCHEMBL16200890

CC(C)(C)OC(=O)NC1CCN(Cc2cn3cc(C(=O)O)ccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.46
NAMPT P43490 3/20 0.46
KCNA3 P22001 1/20 0.46
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 2/20 0.40
CCR5 P51681 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SUV39H2 Q9H5I1 2/20 0.39
MAOB P27338 1/20 0.39
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL16200824 0.91 NAMPT (0.46) HPGDSNAMPTKCNA3CKS1BSKP1
SCHEMBL12011087 0.79 KMT2A (0.57) KCNA3KMT2AMEN1L3MBTL1MAOB
SCHEMBL7840790 0.74 CHRM2 (0.59) KCNA3CKS1BSKP1SKP2KMT2A
SCHEMBL7081890 0.74 KCNA3 (0.46) HPGDSNAMPTKCNA3CKS1BSKP1
SCHEMBL7960557 0.74 KCNA3 (0.50) KCNA3CKS1BSKP1SKP2KMT2A
SCHEMBL7951883 0.74 CHRM2 (0.52) KCNA3CKS1BSKP1SKP2KMT2A
SCHEMBL28758216 0.74 KDM1A (0.56) KCNA3KMT2AMEN1L3MBTL1MAOB
SCHEMBL915402 0.73 KMT2A (0.65) KCNA3KMT2AMEN1L3MBTL1DRD2
SCHEMBL7078816 0.73 DRD4 (0.58) KCNA3CKS1BSKP1SKP2KMT2A
SCHEMBL7466823 0.73 KCNA3 (0.49) NAMPTKCNA3CKS1BSKP1SKP2

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-2991981-B1 DIAMINOPYRAZINE COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-03-01 EP disclosed
US-9018215-B2 Heteroaromatic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-28 US disclosed
US-9018215-B2 Heteroaromatic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-28 US disclosed
US-20140323447-A1 HETEROAROMATIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
US-20140323447-A1 HETEROAROMATIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 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-20140323447-A1 HETEROAROMATIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, SCNN1G HPGDS 1306/4885NAMPT 2168/4885KCNA3 146/4885

“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.