SCHEMBL2654478

SCHEMBL2654478

Nc1cnc(CP(=O)(O)O)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.44
PGK2 P07205 3/20 0.44
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FDPS P14324 1/20 0.33
ACP3 P15309 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 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
Hydrochloric Acid SCHEMBL3136371 0.98 PGK1 (0.42) PGK1PGK2MEN1KMT2AFDPS
Hydrochloric Acid SCHEMBL2637290 0.73 PGK1 (0.46) PGK1PGK2FDPS
SCHEMBL1107439 0.72 KDM4E (0.36) MEN1KMT2AHDAC1
SCHEMBL2636885 0.71 GABRP (0.55) PGK1PGK2GABRPGABRDGABRA1
SCHEMBL2729582 0.69 GABRA5 (0.53) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL10646272 0.69 PGK1 (0.45) PGK1PGK2FDPSHDAC1HDAC6
SCHEMBL16679336 0.68 MEN1 (0.39) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL9753412 0.68 PGK1 (0.44) PGK1PGK2KMT2A
SCHEMBL14769117 0.68 PGK1 (0.48) PGK1PGK2
SCHEMBL12963770 0.67

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-2059522-B1 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
US-8614332-B2 Substituted pyrazolylamides useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-24 US disclosed
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
EP-2059522-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS Brystol-Myers Squibb Company (US) 2009-05-20 EP disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 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 (2 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-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 PGK1 45/4885PGK2 29/4885MEN1 3654/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 PGK1 57/4885PGK2 41/4885MEN1 3412/4885

“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.