SCHEMBL6061489

SCHEMBL6061489

Nc1nc2c(ncn2CCCCB(O)O)c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.75
HPRT1 P00492 8/20 0.69
PNP P00491 10/20 0.67
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
EDNRA P25101 1/20 0.56
HTR2A P28223 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
HBB P68871 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL571645 0.86 TK1 (1.00) TK1HPRT1PNPUSP2TSHR
SCHEMBL8175624 0.85 TK1 (0.97) TK1HPRT1PNPUSP2TSHR
SCHEMBL3836263 0.84 TK1 (0.92) TK1HPRT1PNPUSP2TSHR
SCHEMBL8196749 0.84 TK1 (0.78) TK1HPRT1PNPUSP2TSHR
SCHEMBL29286376 0.84 TK1 (0.76) TK1HPRT1PNPUSP2TSHR
SCHEMBL8522271 0.83 TK1 (0.76) TK1HPRT1PNP
SCHEMBL15743134 0.83 TK1 (0.76) TK1HPRT1PNPUSP2TSHR
SCHEMBL3793003 0.83 TK1 (0.76) TK1HPRT1PNP
SCHEMBL6272299 0.82 TK1 (0.74) TK1HPRT1PNP
SCHEMBL22571178 0.82 TK1 (0.74) TK1HPRT1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060228305-A1 Pharmaceutical compositions based on anticholinergics and inhibitors of tnf alpha synthesis or action BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 US disclosed
EP-1592422-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND INHIBITORS OF TNF ALPHA SYNTHESIS OR ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-09 EP disclosed
WO-2004071383-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND INHIBITORS OF TNF ALPHA SYNTHESIS OR ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-26 WO disclosed
EP-0767793-B1 N-SUBSTITUTED-(DIHYDROXYBORYL)ALKYL PURINE, INDOLE AND PYRIMIDINE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES UNIV NORTH CAROLINA (US) 2002-09-18 EP disclosed
US-5643893-A ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS MACRONEX, INC. (US) 1997-07-01 US disclosed
EP-0767793-A1 N-SUBSTITUTED-(DIHYDROXYBORYL)ALKYL PURINE, INDOLE AND PYRIMIDINE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX, INC. (US) 1997-04-16 EP disclosed
WO-1995035300-A1 N-SUBSTITUTED-(DIHYDROXYBORYL)ALKYL PURINE, INDOLE AND PYRIMIDINE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX, INC. (US) 1995-12-28 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-20060228305-A1 Pharmaceutical compositions based on anticholinergics and inhibitors of tnf alpha synthesis or action CHRNA1, CHRNG, CHRNB1 TK1 3404/4885HPRT1 2900/4885PNP 3937/4885

“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.