SCHEMBL1691857

SCHEMBL1691857

NC(=O)c1ccc2nc(-c3ccc(F)cc3F)c(CO)n2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.41
▸ MAPK14 Q16539 7/20 0.40
▸ CDK4 P11802 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GABRA1 P14867 3/20 0.38
▸ GABRB2 P47870 3/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ ACVR2B Q13705 1/20 0.38
▸ MYLK Q15746 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ NLK Q9UBE8 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ HTR5A P47898 1/20 0.36
▸ GRM2 Q14416 2/20 0.36

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 0.83 GABRA1 (0.54) TGFBR1GABRA1GABRB2
SCHEMBL1691132 0.81 PRNP (0.47) MAPK14GABRA1GABRB2PRKD3PRKD2
SCHEMBL1691613 0.81 SLC2A1 (0.45) MAPK14GABRB2MAPK11SLC2A2
SCHEMBL1691693 0.81 SLC2A1 (0.45) TGFBR1CDK4CDK2GABRA1GABRB2
SCHEMBL1691779 0.80 DPP4 (0.49) SLC2A2
SCHEMBL18977271 0.78 CDK2 (0.39) CDK4CDK2GABRA1GABRB2SLC2A2
SCHEMBL1691379 0.74 MAPK14 (0.35) TGFBR1MAPK14PRKD3PRKD2
SCHEMBL1691484 0.74 SLC2A1 (0.60) GABRB2SLC2A2
SCHEMBL1691361 0.72 DYRK1A (0.49) MAPK14PRKD3MAPK9ROCK1ALK
SCHEMBL1691390 0.71 DPP4 (0.39) MAPK14PRKD3MAPK11PRKD2

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 30 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 TGFBR1 2597/4885MAPK14 3676/4885CDK4 4551/4885
US-20120010188-A1 Imidazopyridine Compounds SSB, MIF, IDO1 TGFBR1 2881/4885MAPK14 3550/4885CDK4 2433/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 TGFBR1 3279/4885MAPK14 4582/4885CDK4 4435/4885
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS SSB, MIF, IDO1 TGFBR1 2881/4885MAPK14 3550/4885CDK4 2433/4885
US-20160101072-A1 Therapeutic uses of enzyme inhibitors VAPB, VAPA, AOX1 TGFBR1 3066/4885MAPK14 4744/4885CDK4 4172/4885

“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.

Send feedback