SCHEMBL24704301

SCHEMBL24704301

Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 1.00
▸ KCNH2 Q12809 1/20 1.00
▸ CYP2C9 P11712 2/20 0.69
▸ AURKA O14965 1/20 0.69
▸ FGR P09769 1/20 0.69
▸ SRC P12931 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ MINK1 Q8N4C8 1/20 0.69
▸ LCK P06239 1/20 0.65
▸ CD69 Q07108 2/20 0.64
▸ CYP3A4 P08684 1/20 0.64

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
SCHEMBL24703852 0.92 BTK (1.00) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791526 0.91 BTK (0.83) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL30104481 0.91 BTK (0.83) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791396 0.91 BTK (0.83) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL30104423 0.91 BTK (0.83) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL30104341 0.91 BTK (0.83) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791302 0.91 BTK (0.83) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21776837 0.90 BTK (0.96) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL24704060 0.90 BTK (0.82) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL31683874 0.90 BTK (0.96) BTKKCNH2CYP2C9AURKAFGR

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 1 patent. 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

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 1/4885KCNH2 2077/4885CYP2C9 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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