SCHEMBL23123464

SCHEMBL23123464

Brc1cc(N2CCOCC2)c2nc[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.43
▸ HTT P42858 3/20 0.39
▸ F2 P00734 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RAF1 P04049 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 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
SCHEMBL16121618 0.82 MAPT (0.42) HTTF2POLBTDP1RAF1
SCHEMBL23124062 0.79 LRRK2 (0.42) HTTF2POLBTDP1RAF1
SCHEMBL23122595 0.76 DRD2 (0.59) HTTF2POLBTDP1MAPK1
SCHEMBL17758496 0.74 BRD4 (0.47) HTTKMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL29482223 0.74 BRD4 (0.47) HTTKMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL23123021 0.71 DRD2 (0.54) HTTF2POLBTDP1MAPK1
SCHEMBL17109355 0.70 MAPT (0.48) CCR5HTTPOLBMAPK1MEN1
SCHEMBL18114683 0.70 MAPT (0.42) HTTF2POLBTDP1RAF1
SCHEMBL16094546 0.70 CHEK1 (0.43) RAF1BRAFMAPK1CHEK1PDPK1
SCHEMBL30818742 0.70 MAPT (0.42) HTTF2POLBTDP1RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 — — 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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 CCR5 3710/4885HTT 87/4885F2 4840/4885

“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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