SCHEMBL24617877

SCHEMBL24617877

BC(B)(B)Oc1ccc(Br)nc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.36
▸ CHRNA4 P43681 3/20 0.36
▸ CYP19A1 P11511 1/20 0.31
▸ MCHR1 Q99705 1/20 0.30

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
SCHEMBL28694365 0.79 CHRNB2 (0.36) CHRNB2CHRNA4CYP19A1MCHR1
SCHEMBL29499452 0.79 SLC7A5 (0.41) CHRNB2CHRNA4
SCHEMBL10329129 0.76 CHRNB2 (0.35) CHRNB2CHRNA4
SCHEMBL31370973 0.72 CHRNB2 (0.35) CHRNB2CHRNA4MCHR1
SCHEMBL12291677 0.72 CHRNB2 (0.35) CHRNB2CHRNA4MCHR1
SCHEMBL29994942 0.71 — —
SCHEMBL15918444 0.71 — —
SCHEMBL502881 0.71 — —
SCHEMBL28971358 0.71 TRPV1 (0.32) CHRNB2CHRNA4
Ammonia Solution, Strong SCHEMBL27672547 0.70 CA12 (0.43) CHRNB2CHRNA4

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-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 — — US disclosed
US-20220218679-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2022-07-14 — — 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-20220218679-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS LTB4R2, LTC4S, CYSLTR1 CHRNB2 2965/4885CHRNA4 3138/4885CYP19A1 1120/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 CHRNB2 4457/4885CHRNA4 4385/4885CYP19A1 4013/4885

“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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