SCHEMBL19283713

SCHEMBL19283713

NCCNC(=O)C(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.46
▸ ITGB6 P18564 1/20 0.46
▸ ITGB8 P26012 1/20 0.46
▸ TACR1 P25103 1/20 0.46
▸ TACR3 P29371 1/20 0.46
▸ MTOR P42345 1/20 0.44
▸ NTRK1 P04629 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ RAF1 P04049 2/20 0.40
▸ PNMT P11086 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL30645021 0.87 ITGA5 (0.45) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20744505 0.87 ITGA5 (0.45) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL19283712 0.84 MTOR (0.50) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20743177 0.82 ITGA5 (0.47) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL30645134 0.82 ITGA5 (0.47) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL19283585 0.81 MTOR (0.47) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20743022 0.81 KLRK1 (0.49) ITGA5ITGB6ITGB8MTORNPC1
SCHEMBL19284046 0.80 ITGA5 (0.43) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL19283810 0.79 KLRK1 (0.53) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20792208 0.79 PNMT (0.47) ITGA5ITGB6ITGB8MTORNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274092-B2 Potassium channel inhibitors ACESION PHARMA APS (DK) 2022-03-15 — — US claimed
US-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2021-06-24 — — US claimed
EP-3419973-B1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-04-08 — — EP claimed
US-11274092-B2 Potassium channel inhibitors ACESION PHARMA APS (DK) 2022-03-15 — — US disclosed
US-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2021-06-24 — — US disclosed
US-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2021-06-24 — — US disclosed
EP-3419973-B1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-04-08 — — EP disclosed
EP-3419973-A1 NOVEL POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2019-01-02 — — EP disclosed
WO-2017144183-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2017-08-31 — — 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 (2 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-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNN2, KCNN1 ITGA5 3161/4885ITGB6 3120/4885ITGB8 3935/4885
US-11274092-B2 Potassium channel inhibitors KCNJ2, KCNJ11, KCNJ1 ITGA5 2293/4885ITGB6 2913/4885ITGB8 3978/4885

“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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