SCHEMBL2679072

SCHEMBL2679072

Brc1ccnc(-c2ccncc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP19A1 P11511 3/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL8513475 0.83 NPC1 (0.42) NPC1RAB9AL3MBTL1MAPTMEN1
SCHEMBL16210072 0.83 MEN1 (0.59) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL12441003 0.79 MEN1 (0.56) NPC1RAB9AL3MBTL1MAPTMEN1
SCHEMBL8501004 0.77 NPC1 (0.70) NPC1RAB9AL3MBTL1RXFP1MAPT
SCHEMBL16320822 0.76 CYP2A6 (0.62) NPC1RAB9AMAPTKMT2ALMNA
Ammonia Solution, Strong SCHEMBL27968646 0.76 NPC1 (0.68) NPC1RAB9AL3MBTL1RXFP1MAPT
SCHEMBL12514786 0.75 TP53 (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL8891737 0.75 KDM4E (0.41) NPC1RAB9AL3MBTL1MAPTMEN1
SCHEMBL2650448 0.74 L3MBTL1 (0.49) NPC1RAB9AL3MBTL1RXFP1MAPT
SCHEMBL2678667 0.74 NPC1 (0.51) NPC1RAB9AL3MBTL1RXFP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173807-B2 Pyridine, pyrimidine and pyrazine derivatives as GPCR agonists PROSIDION LIMITED (GB) 2012-05-08 US disclosed
US-8173807-B2 Pyridine, pyrimidine and pyrazine derivatives as GPCR agonists PROSIDION LIMITED (GB) 2012-05-08 US disclosed
US-8173807-B2 Pyridine, pyrimidine and pyrazine derivatives as GPCR agonists PROSIDION LIMITED (GB) 2012-05-08 US disclosed
EP-1838698-B1 PYRIMIDINE DERIVATIVES AS GPCR AGONISTS PROSIDION LTD (GB) 2010-09-01 EP disclosed
US-20100035897-A1 Pyridine, pyrimidine and pyrazine derivatives as gpcr agonists PROSIDION LIMITED (GB) 2010-02-11 US disclosed
US-20100035897-A1 Pyridine, pyrimidine and pyrazine derivatives as gpcr agonists PROSIDION LIMITED (GB) 2010-02-11 US disclosed
US-20100035897-A1 Pyridine, pyrimidine and pyrazine derivatives as gpcr agonists PROSIDION LIMITED (GB) 2010-02-11 US disclosed
EP-1838698-A1 PYRIMIDINE DERIVATIVES AS GPCR AGONISTS Prosidion Limited (GB) 2007-10-03 EP disclosed
WO-2006070208-A1 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS GPCR AGONISTS PROSIDION LTD. (GB) 2006-07-06 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 (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-20100035897-A1 Pyridine, pyrimidine and pyrazine derivatives as gpcr agonists GPR119, GPR52, GPR65 NPC1 2333/4885RAB9A 1249/4885L3MBTL1 4020/4885

“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.