SCHEMBL21791307

SCHEMBL21791307

Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)N4CC(OC(C)(C)C)C4)ccnc3[nH]2)cnn1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.57
▸ CD69 Q07108 2/20 0.46
▸ AURKA O14965 1/20 0.43
▸ FGR P09769 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MINK1 Q8N4C8 1/20 0.43
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL30104510 1.00 BTK (0.57) BTKCD69AURKAFGRCYP2C9
SCHEMBL30104338 1.00 BTK (0.57) BTKCD69AURKAFGRCYP2C9
SCHEMBL24703928 1.00 BTK (0.57) BTKCD69AURKAFGRCYP2C9
SCHEMBL21791405 0.88 BTK (0.59) BTKCD69AURKAFGRCYP2C9
SCHEMBL21791406 0.88 BTK (0.59) BTKCD69AURKAFGRCYP2C9
SCHEMBL30104497 0.88 BTK (0.59) BTKCD69AURKAFGRCYP2C9
SCHEMBL30104351 0.88 BTK (0.59) BTKCD69AURKAFGRCYP2C9
SCHEMBL21791404 0.88 BTK (0.59) BTKCD69AURKAFGRCYP2C9
SCHEMBL30104490 0.88 BTK (0.59) BTKCD69AURKAFGRCYP2C9
SCHEMBL21776827 0.86 BTK (0.58) BTKCD69AURKAFGRCYP2C9

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-20220389004-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) EMD Serono Research and Development Institute, Inc. 2022-12-08 — — US disclosed
WO-2020043638-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) MERCK PATENT GMBH (DE) 2020-03-05 — — 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-20220389004-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) BTK, SYK, ABL1 BTK 1/4885CD69 2403/4885AURKA 130/4885

“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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