SCHEMBL23303990

SCHEMBL23303990

Cc1cc(-c2ccnc3cc(Br)nn23)ccc1CNC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ CFTR P13569 6/20 0.39
▸ HTT P42858 1/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ BTK Q06187 4/20 0.38
▸ GLA P06280 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
SCHEMBL23336436 0.87 CFTR (0.46) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL29840296 0.87 CFTR (0.46) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL23304256 0.80 CFTR (0.49) CFTRWNT3A
SCHEMBL27167883 0.80 MEN1 (0.36) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL23303716 0.80 BTK (0.47) L3MBTL1CDK1PIM1MAPKAPK2GSK3A
SCHEMBL27167756 0.76 CFTR (0.45) KDM4EPOLBCFTRBTK
SCHEMBL23303691 0.72 BTK (0.56) MEN1KMT2AL3MBTL1POLBHTT
SCHEMBL27167851 0.71 CFTR (0.43) KDM4EL3MBTL1POLBCFTRBTK
SCHEMBL16794160 0.71 MKNK1 (0.48) WNT3ABTK
Trifluoroacetic Acid SCHEMBL31679736 0.71 BTK (0.52) MEN1KMT2AL3MBTL1POLBBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-01-26 — — US disclosed
WO-2021087112-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2021-05-06 — — 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-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, CDK1, CDK2 MEN1 1448/4885KMT2A 1007/4885KDM4E 1308/4885

“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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