SCHEMBL16200824

SCHEMBL16200824

COC(=O)c1ccc2nc(CN3CCC(NC(=O)OC(C)(C)C)CC3)cn2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
HPGDS O60760 2/20 0.44
KCNA3 P22001 1/20 0.43
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
SUV39H2 Q9H5I1 5/20 0.40
BTK Q06187 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
DRD2 P14416 2/20 0.39
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL16200890 0.91 HPGDS (0.46) NAMPTHPGDSKCNA3CKS1BSKP1
SCHEMBL7081890 0.81 KCNA3 (0.46) NAMPTHPGDSKCNA3CKS1BSKP1
SCHEMBL12011091 0.80 KDM4E (0.57) KCNA3MCHR1KDM4EMEN1KMT2A
SCHEMBL15058288 0.75 SSTR5 (0.49) KCNA3KDM4DMCHR1ALDH1A1
SCHEMBL7840790 0.74 CHRM2 (0.59) KCNA3CKS1BSKP1SKP2DRD2
SCHEMBL7951883 0.73 CHRM2 (0.52) KCNA3CKS1BSKP1SKP2DRD2
SCHEMBL7960557 0.73 KCNA3 (0.50) KCNA3CKS1BSKP1SKP2DRD2
SCHEMBL22499031 0.72 ALDH1A1 (0.44) NAMPTMCHR1KDM4ENPC1ALDH1A1
SCHEMBL7078816 0.72 DRD4 (0.58) KCNA3CKS1BSKP1SKP2DRD2
SCHEMBL7466823 0.72 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 6 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
WO-2014177469-A1 DIAMINOPYRAZINE COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH,M (DE) 2014-11-06 WO 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 NAMPT 2168/4885HPGDS 1306/4885KCNA3 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.