SCHEMBL20744591

SCHEMBL20744591

COC(=O)CC(Nc1nc2ccc(F)c(C)c2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 9/20 0.40
▸ CTSA P10619 1/20 0.39
▸ TEK Q02763 3/20 0.38
▸ KDR P35968 2/20 0.38
▸ PTGFR P43088 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.36
▸ KRAS P01116 1/20 0.35

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
SCHEMBL20743982 0.91 CTSA (0.47) SOS1CTSAPTGFRCCNT1CDK9
SCHEMBL20762257 0.86 CTSA (0.39) SOS1CTSATEKKDRPTGFR
SCHEMBL19283637 0.82 ITGA5 (0.47) TEKKDRRAF1BRAF
SCHEMBL30645020 0.76 CTSA (0.39) SOS1CTSAPTGFR
SCHEMBL20743169 0.76 CTSA (0.39) SOS1CTSAPTGFR
SCHEMBL29462416 0.75 ITGA5 (0.45) SOS1TEKKDRRAF1BRAF
SCHEMBL20743906 0.75 SOS1 (0.44) SOS1CTSAPTGFRHDAC1HDAC6
SCHEMBL21821324 0.75 ITGA5 (0.45) SOS1TEKKDRRAF1BRAF
SCHEMBL20743152 0.75 HDAC1 (0.37) SOS1CTSAHDAC1HDAC6HDAC5
SCHEMBL20743289 0.74 ITGA5 (0.45) TEKKDRRAF1BRAF

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 5 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
CN-111344281-A Potassium channel inhibitors of substituted benzimidazoles 阿塞西翁制药公司 2020-06-26 — — CN disclosed
EP-3668841-A1 SUBSTITUTED BENZIMIDAZOLES AS POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2020-06-24 — — EP disclosed
WO-2019034603-A1 SUBSTITUTED BENZIMIDAZOLES AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2019-02-21 — — 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 (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 SOS1 3161/4885CTSA 2301/4885TEK 1664/4885

“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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