SCHEMBL22188672

SCHEMBL22188672

N#CCCC(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.44
▸ ITGB6 P18564 1/20 0.44
▸ ITGB8 P26012 1/20 0.44
▸ MTOR P42345 1/20 0.41
▸ NTRK1 P04629 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ CETP P11597 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PNMT P11086 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ POLB P06746 1/20 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
SCHEMBL30645125 1.00 ITGA5 (0.44) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL23679179 0.86 SLC6A2 (0.47) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20792208 0.86 PNMT (0.47) ITGA5ITGB6ITGB8MTORNTRK1
Hydrochloric Acid SCHEMBL22321392 0.85 PNMT (0.46) ITGA5ITGB6ITGB8MTORNTRK1
Hydrochloric Acid SCHEMBL30411743 0.85 PNMT (0.46) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20743024 0.83 ITGA5 (0.45) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20743289 0.83 ITGA5 (0.45) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL19283808 0.83 ITGA5 (0.47) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20764702 0.82 ITGA5 (0.46) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20764688 0.82 ITGA5 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 — — CN disclosed
US-20200216398-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-07-09 — — US disclosed
US-20200216398-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-07-09 — — US disclosed
CN-111344281-A Potassium channel inhibitors of substituted benzimidazoles 阿塞西翁制药公司 2020-06-26 — — CN 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 (1 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-20200216398-A1 NOVEL POTASSIUM CHANNEL INHIBITORS KCNN1, KCNN2, KCNJ2 ITGA5 3438/4885ITGB6 3377/4885ITGB8 3800/4885

“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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