SCHEMBL18976827

SCHEMBL18976827

CC(C)(O)CNc1ncc(-c2nc3ccncc3n2-c2ccc(F)cc2)cn1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.68
▸ AOC3 Q16853 18/20 0.67
▸ AOC2 O75106 1/20 0.50

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
SCHEMBL30020729 1.00 KCNH2 (0.68) KCNH2AOC3AOC2
SCHEMBL30020733 0.92 AOC3 (0.58) KCNH2AOC3
SCHEMBL17621639 0.92 AOC3 (0.58) KCNH2AOC3
SCHEMBL20924438 0.85 AOC3 (0.75) KCNH2AOC3AOC2
SCHEMBL22997639 0.81 AOC3 (0.72) KCNH2AOC3AOC2
SCHEMBL16048921 0.81 KCNH2 (1.00) KCNH2AOC3AOC2
SCHEMBL30026367 0.81 KCNH2 (1.00) KCNH2AOC3AOC2
SCHEMBL17075552 0.80 AOC3 (1.00) KCNH2AOC3AOC2
SCHEMBL16067948 0.80 AOC3 (1.00) KCNH2AOC3AOC2
SCHEMBL20924559 0.78 AOC3 (0.64) KCNH2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200147059-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS PROXIMAGEN, LLC (US) 2020-05-14 — — US claimed
CN-111032029-A Vascular adhesion protein-1 inhibitors for the prevention or treatment of migraine 普罗克斯马根有限责任公司 2020-04-17 — — CN claimed
EP-3634393-A1 INHIBITORS OF VASCULAR ADHESION PROTEIN-1 FOR USE IN PREVENTION OR TREATMENT OF MIGRAINE PROXIMAGEN, LLC (US) 2020-04-15 — — EP claimed
EP-3194389-B1 IMIDAZO[4,5-C]PYRIDINE DERIVED SSAO INHIBITORS PROXIMAGEN LLC (US) 2019-08-07 — — EP claimed
WO-2018224837-A1 INHIBITORS OF VASCULAR ADHESION PROTEIN-1 FOR USE IN PREVENTION OR TREATMENT OF MIGRAINE Proximagen Group Limited (GB) 2018-12-13 — — WO claimed
US-20170275281-A1 IMIDAZO[4,5-C]PYRIDINE DERIVED SSAO INHIBITORS PROXIMAGEN, LLC 2017-09-28 — — US claimed
US-11530208-B2 Imidazo[4,5-C]pyridine derived SSAO inhibitors PROXIMAGEN, LLC (US) 2022-12-20 — — US disclosed
US-11530208-B2 Imidazo[4,5-C]pyridine derived SSAO inhibitors PROXIMAGEN, LLC (US) 2022-12-20 — — US disclosed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 — — EP disclosed
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
US-20200147059-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS PROXIMAGEN, LLC (US) 2020-05-14 — — US disclosed
EP-3194389-B1 IMIDAZO[4,5-C]PYRIDINE DERIVED SSAO INHIBITORS PROXIMAGEN LLC (US) 2019-08-07 — — EP disclosed
EP-3194389-B1 IMIDAZO[4,5-C]PYRIDINE DERIVED SSAO INHIBITORS PROXIMAGEN LLC (US) 2019-08-07 — — EP disclosed
US-20170275281-A1 IMIDAZO[4,5-C]PYRIDINE DERIVED SSAO INHIBITORS PROXIMAGEN, LLC 2017-09-28 — — US disclosed
US-20170275281-A1 IMIDAZO[4,5-C]PYRIDINE DERIVED SSAO INHIBITORS PROXIMAGEN, LLC 2017-09-28 — — US disclosed
US-20170275281-A1 IMIDAZO[4,5-C]PYRIDINE DERIVED SSAO INHIBITORS PROXIMAGEN, LLC 2017-09-28 — — US disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 — — 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 (4 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 KCNH2 1764/4885AOC3 55/4885AOC2 59/4885
US-20170275281-A1 IMIDAZO[4,5-C]PYRIDINE DERIVED SSAO INHIBITORS PNPO, SQOR, HAO1 KCNH2 492/4885AOC3 5/4885AOC2 10/4885
US-20200147059-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, SMOX KCNH2 1505/4885AOC3 4/4885AOC2 5/4885
US-11530208-B2 Imidazo[4,5-C]pyridine derived SSAO inhibitors PNPO, SQOR, HAO1 KCNH2 492/4885AOC3 5/4885AOC2 10/4885

“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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