SCHEMBL30104452

SCHEMBL30104452

CCc1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)nn1C

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.67
▸ KCNH2 Q12809 1/20 0.59
▸ CYP2C9 P11712 4/20 0.58
▸ AURKA O14965 1/20 0.58
▸ FGR P09769 1/20 0.58
▸ SRC P12931 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ MINK1 Q8N4C8 1/20 0.58
▸ CD69 Q07108 5/20 0.57
▸ CYP3A4 P08684 2/20 0.57

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
SCHEMBL30104471 1.00 BTK (0.67) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791225 1.00 BTK (0.67) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791229 1.00 BTK (0.67) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL30104369 1.00 BTK (0.67) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791299 1.00 BTK (0.67) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791323 0.98 BTK (0.66) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL30104337 0.98 BTK (0.66) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791291 0.92 BTK (0.69) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL30104354 0.92 BTK (0.69) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791322 0.90 BTK (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12415803-B2 Fused imidazopyridines as reversible inhibitors of Brutons Tyrosine Kinase (BTK) MERCK PATENT GMBH (DE) 2025-09-16 — — US disclosed
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 (2 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-12415803-B2 Fused imidazopyridines as reversible inhibitors of Brutons Tyrosine Kinase (BTK) BTK, SYK, ABL1 BTK 1/4885KCNH2 2077/4885CYP2C9 2442/4885
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.

Send feedback