SCHEMBL21791272

SCHEMBL21791272

Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cn1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.69
▸ CD69 Q07108 4/20 0.69
▸ CYP2C9 P11712 2/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ KCNH2 Q12809 1/20 0.62

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
SCHEMBL30104479 1.00 BTK (0.69) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL30104319 1.00 BTK (0.69) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL21791345 1.00 BTK (0.69) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL21791522 1.00 BTK (0.69) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL30104328 1.00 BTK (0.69) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL21791402 0.89 BTK (0.69) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL30104324 0.89 BTK (0.69) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL21791547 0.89 BTK (0.69) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL21791275 0.89 BTK (0.69) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL30104357 0.89 BTK (0.69) BTKCD69CYP2C9CYP3A4KCNH2

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 2403/4885CYP2C9 2442/4885

“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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