SCHEMBL30104404

SCHEMBL30104404

Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4N)ccnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.41
▸ AURKA O14965 1/20 0.41
▸ FGR P09769 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MINK1 Q8N4C8 1/20 0.41
▸ BRD4 O60885 6/20 0.36
▸ MAP4K1 Q92918 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HTR5A P47898 1/20 0.31

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
SCHEMBL21791515 1.00 BTK (0.41) BTKAURKAFGRCYP2C9SRC
Hydrochloric Acid SCHEMBL30104448 0.99 BTK (0.41) BTKAURKAFGRCYP2C9SRC
Hydrochloric Acid SCHEMBL28587621 0.99 BTK (0.41) BTKAURKAFGRCYP2C9SRC
SCHEMBL21791271 0.89 BTK (0.52) BTKAURKAFGRCYP2C9SRC
Hydrochloric Acid SCHEMBL30104492 0.89 BTK (0.52) BTKAURKAFGRCYP2C9SRC
Hydrochloric Acid SCHEMBL28578671 0.89 BTK (0.52) BTKAURKAFGRCYP2C9SRC
SCHEMBL21791537 0.87 BTK (0.37) BTKAURKAFGRCYP2C9SRC
Hydrochloric Acid SCHEMBL30104403 0.86 BTK (0.36) BTKAURKAFGRCYP2C9SRC
SCHEMBL21791384 0.86 BRD4 (0.39) BTKAURKAFGRCYP2C9SRC
SCHEMBL21791261 0.85 BRD4 (0.37) BTKAURKAFGRCYP2C9SRC

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 1/4885AURKA 130/4885FGR 174/4885
US-20220389004-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) BTK, SYK, ABL1 BTK 1/4885AURKA 130/4885FGR 174/4885

“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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