SCHEMBL23304020

SCHEMBL23304020

Cc1cc(-c2ccnn3ccnc23)ccc1CNC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KLKB1 P03952 3/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ STING1 Q86WV6 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
SCHEMBL29840382 0.87 BRD4 (0.42) BTK
SCHEMBL23336440 0.87 BRD4 (0.42) BTK
SCHEMBL23304194 0.84 BTK (0.37) BTKNPC1RAB9AKLKB1NR3C1
SCHEMBL23303943 0.83 BTK (0.39) BTKNPC1RAB9AKLKB1MAPT
SCHEMBL25205164 0.82 PIK3CD (0.45) BTKNPC1RAB9AKLKB1NR3C1
SCHEMBL23303963 0.81 BTK (0.56) BTK
SCHEMBL23303708 0.81 NOS3 (0.33) BTKPIM1IRAK4
Trifluoroacetic Acid SCHEMBL23303709 0.79 BTK (0.54) BTK
SCHEMBL25206052 0.76 BTK (0.38) BTKNPC1RAB9AKLKB1MAPT
SCHEMBL29840428 0.72 BRD4 (0.40) BTKNR3C1PGRPDE4B

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 BTK 4/4885NPC1 4487/4885RAB9A 1872/4885

“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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