SCHEMBL2679197

SCHEMBL2679197

Oc1ccnc(-c2ccncc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ ATM Q13315 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PDGFRB P09619 2/20 0.42
▸ PDGFRA P16234 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ EGFR P00533 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
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1163789 0.83 NPC1 (0.49) NPC1L3MBTL1POLBMEN1KMT2A
Bromide SCHEMBL30271836 0.81 NPC1 (0.47) NPC1L3MBTL1POLBMEN1KMT2A
SCHEMBL6543819 0.79 MAPT (0.48) NPC1L3MBTL1MAPTLMNAPDGFRB
SCHEMBL2556630 0.79 MEN1 (0.66) NPC1POLBMEN1KMT2AMAPT
SCHEMBL8030882 0.79 TRPV3 (0.51) —
SCHEMBL20743671 0.78 GABRA1 (0.36) NPC1MEN1KMT2AMAPTATM
SCHEMBL8501004 0.77 NPC1 (0.70) NPC1L3MBTL1RXFP1POLBMEN1
SCHEMBL7444977 0.76 KMT2A (0.72) NPC1POLBMEN1KMT2AMAPT
SCHEMBL11166932 0.76 CDK5 (0.42) NPC1MAPTPDGFRBPDGFRASMN1; SMN2
SCHEMBL27681382 0.76 MKNK1 (0.49) MEN1KMT2AGABRA1GABRG2GABRB3

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
WO-2017038873-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 — — WO 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
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 2333/4885L3MBTL1 4020/4885RXFP1 91/4885

“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.

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