SCHEMBL29918707

SCHEMBL29918707

C1=NCCc2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP19A1 P11511 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL798608 1.00 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL31326617 0.83 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL15088052 0.83 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL2853230 0.78
SCHEMBL29704485 0.78
SCHEMBL27943278 0.77
Iodide SCHEMBL27382621 0.77 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4
Isoquinoline SCHEMBL5124998 0.76 CYP11B1 (0.38) SIGMAR1CYP11B1CYP11B2CYP19A1
SCHEMBL56690 0.71 TRPA1 (0.42) CYP11B1CYP11B2CYP19A1
SCHEMBL16031737 0.70

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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-10-20 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN SIGMAR1 4189/4885CHRNB2 3955/4885CHRNA4 4639/4885
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN SIGMAR1 4189/4885CHRNB2 3955/4885CHRNA4 4639/4885

“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.