SCHEMBL1691256

SCHEMBL1691256

Nc1cn2c(CO)c(-c3ccc(F)cc3)nc2cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
SIRT5 Q9NXA8 1/20 0.39
SLC2A1 P11166 1/20 0.38
ADORA1 P30542 2/20 0.38
TGFBR1 P36897 6/20 0.38
SLC2A3 P11169 1/20 0.38
SLC2A4 P14672 1/20 0.38
ADORA2A P29274 1/20 0.38
HDAC1 Q13547 1/20 0.35
TGFBR2 P37173 1/20 0.35

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
SCHEMBL1691243 0.87 SLC2A1 (0.37) SLC2A1ADORA1ADORA2A
SCHEMBL1691220 0.87 ALDH1A1 (0.46) GABRB2SLC2A1ADORA1
SCHEMBL1691297 0.84 GABRA1 (0.44) GABRA1GABRB2SIRT5SLC2A1TGFBR1
SCHEMBL1691208 0.79 GABRA1 (0.41) GABRA1GABRB2SLC2A1ADORA1SLC2A3
SCHEMBL1691303 0.76 GABRA1 (0.68) GABRA1GABRB2SIRT5SLC2A1
SCHEMBL1691380 0.76 GABRA1 (0.52) GABRA1GABRB2SIRT5SLC2A1SLC2A3
SCHEMBL18953135 0.74 CNR1 (0.38) SLC2A1
SCHEMBL1691704 0.74 GABRA1 (0.54) GABRA1GABRB2SIRT5SLC2A1TGFBR1
SCHEMBL1691415 0.73 SLC2A1 (0.38) GABRA1GABRB2SLC2A1
SCHEMBL1691885 0.73 GABRB2 (0.55) GABRA1GABRB2SIRT5SLC2A1ADORA1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US claimed
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS BIOVITRUM AB (PUBL) (SE) 2015-08-27 US claimed
EP-2376490-B1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD (GB) 2013-01-23 EP claimed
US-20120010188-A1 Imidazopyridine Compounds PROMIMAGEN LTD. (GB) 2012-01-12 US claimed
EP-2376490-A1 IMIDAZOPYRIDINE COMPOUNDS Proximagen Limited (GB) 2011-10-19 EP claimed
WO-2010064020-A1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD. (GB) 2010-06-10 WO claimed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 EP disclosed
US-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN, LLC 2020-12-24 US disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 WO disclosed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US disclosed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US disclosed
US-20160101072-A1 Therapeutic uses of enzyme inhibitors PROXIMAGEN LIMITED (GB) 2016-04-14 US disclosed
US-20160101072-A1 Therapeutic uses of enzyme inhibitors PROXIMAGEN LIMITED (GB) 2016-04-14 US disclosed
EP-2376490-B1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD (GB) 2013-01-23 EP disclosed
US-20120010188-A1 Imidazopyridine Compounds PROMIMAGEN LTD. (GB) 2012-01-12 US disclosed
US-20120010188-A1 Imidazopyridine Compounds PROMIMAGEN LTD. (GB) 2012-01-12 US disclosed
US-20120010188-A1 Imidazopyridine Compounds PROMIMAGEN LTD. (GB) 2012-01-12 US disclosed
EP-2376490-A1 IMIDAZOPYRIDINE COMPOUNDS Proximagen Limited (GB) 2011-10-19 EP disclosed
WO-2010064020-A1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD. (GB) 2010-06-10 WO disclosed
WO-2010064020-A1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD. (GB) 2010-06-10 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 (5 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-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 GABRA1 478/4885GABRB2 450/4885SIRT5 4331/4885
US-20120010188-A1 Imidazopyridine Compounds SSB, MIF, IDO1 GABRA1 1605/4885GABRB2 2456/4885SIRT5 334/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 GABRA1 776/4885GABRB2 504/4885SIRT5 1527/4885
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS SSB, MIF, IDO1 GABRA1 1605/4885GABRB2 2456/4885SIRT5 334/4885
US-20160101072-A1 Therapeutic uses of enzyme inhibitors VAPB, VAPA, AOX1 GABRA1 909/4885GABRB2 594/4885SIRT5 1543/4885

“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.