SCHEMBL21776995

SCHEMBL21776995

CC(C)n1cc(-c2nc3c(-c4ccc5c(c4)CCCC5N)ccnc3[nH]2)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.51
▸ KCNH2 Q12809 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ TTK P33981 1/20 0.34
▸ AXL P30530 4/20 0.34
▸ TYRO3 Q06418 4/20 0.34
▸ MERTK Q12866 4/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TYK2 P29597 1/20 0.34

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
Hydrochloric Acid SCHEMBL28591161 0.99 BTK (0.50) BTKKCNH2MAP4K1LRRK2TTK
SCHEMBL30104402 0.97 BTK (0.48) BTKKCNH2MAP4K1LRRK2TTK
Hydrochloric Acid SCHEMBL30104418 0.97 BTK (0.48) BTKKCNH2MAP4K1LRRK2TTK
Hydrochloric Acid SCHEMBL30104456 0.89 BTK (0.48) BTKKCNH2
Hydrochloric Acid SCHEMBL28593369 0.86 BTK (0.46) BTKKCNH2
SCHEMBL21776833 0.84 BTK (0.51) BTKKCNH2
SCHEMBL21776936 0.83 BTK (0.49) BTKKCNH2
Hydrochloric Acid SCHEMBL28594006 0.83 BTK (0.51) BTKKCNH2
Hydrochloric Acid SCHEMBL30104462 0.83 BTK (0.43) BTKKCNH2JAK2TYK2
Hydrochloric Acid SCHEMBL30104450 0.83 BTK (0.48) BTKKCNH2

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 4 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
EP-3843847-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) Merck Patent GmbH (DE) 2021-07-07 — — EP disclosed
WO-2020043638-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) MERCK PATENT GMBH (DE) 2020-03-05 — — WO 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 1/4885KCNH2 2077/4885MAP4K1 222/4885

“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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