SCHEMBL1691693

SCHEMBL1691693

NC(=O)c1ccc2nc(-c3ccc(F)c(F)c3)c(CO)n2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 5/20 0.45
▸ TGFBR1 P36897 1/20 0.42
▸ TGFBR2 P37173 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ GABRB2 P47870 5/20 0.41
▸ GABRA1 P14867 4/20 0.41
▸ FYN P06241 1/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ ERN1 O75460 1/20 0.38
▸ GABRA2 P47869 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GABRB1 P18505 1/20 0.37

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
SCHEMBL1691704 0.87 GABRA1 (0.54) SLC2A1TGFBR1TGFBR2GABRB2GABRA1
SCHEMBL1691484 0.84 SLC2A1 (0.60) SLC2A1GABRB2GABRA2ALBOPRK1
SCHEMBL1691416 0.81 PRNP (0.50) SLC2A1GABRB2GABRA1PRNP
SCHEMBL1691857 0.81 TGFBR1 (0.41) TGFBR1GABRB2GABRA1CDK4CDK2
SCHEMBL1691367 0.78 SLC2A1 (0.52) SLC2A1
SCHEMBL1691779 0.76 DPP4 (0.49) SLC2A1
SCHEMBL18953131 0.75 SLC2A1 (0.43) SLC2A1GABRB2CDK4CDK2GABRA2
SCHEMBL14632080 0.73 AKT1 (0.43) SLC2A1GABRB2GABRA1AKT1AKT2
SCHEMBL1691322 0.73 ALDH1A1 (0.51) SLC2A1GABRB2GABRA2KDM4EALB
SCHEMBL10175208 0.73 GABRA2 (0.53) SLC2A1GABRB2GABRA2ALBOPRK1

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 28 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 SLC2A1 2866/4885TGFBR1 2597/4885TGFBR2 3890/4885
US-20120010188-A1 Imidazopyridine Compounds SSB, MIF, IDO1 SLC2A1 1801/4885TGFBR1 2881/4885TGFBR2 3740/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 SLC2A1 1772/4885TGFBR1 3279/4885TGFBR2 3969/4885
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS SSB, MIF, IDO1 SLC2A1 1801/4885TGFBR1 2881/4885TGFBR2 3740/4885
US-20160101072-A1 Therapeutic uses of enzyme inhibitors VAPB, VAPA, AOX1 SLC2A1 1743/4885TGFBR1 3066/4885TGFBR2 3705/4885

“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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