SCHEMBL21260604

SCHEMBL21260604

Cc1[nH]c2c(C(N)O)cc(F)c(NC3CCNC3)c2c1C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.45
▸ BRD4 O60885 4/20 0.36
▸ ATAD2 Q6PL18 4/20 0.36
▸ HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL19035404 0.93 BTK (0.48) BTKBRD4ATAD2
SCHEMBL29782824 0.82 BTK (0.66) BTK
SCHEMBL17699561 0.82 BTK (0.66) BTK
SCHEMBL17699651 0.82 BTK (0.66) BTK
SCHEMBL28165078 0.77 BTK (0.44) BTKBRD4ATAD2
SCHEMBL23231160 0.77 BTK (0.40) BTKBRD4ATAD2HRH4
SCHEMBL17699912 0.75 BTK (0.71) BTK
SCHEMBL23231101 0.74 BTK (0.43) BTKBRD4
SCHEMBL19035389 0.73 BTK (0.44) BTKBRD4ATAD2
SCHEMBL28337962 0.70 BTK (0.48) BTKBRD4ATAD2

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-10604504-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-31 — — US disclosed
US-20190248760-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 — — 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-20190248760-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 BTK 1/4885BRD4 3/4885ATAD2 2979/4885
US-10604504-B2 Indole carboxamide compounds BTK, JAK2, BRD4 BTK 1/4885BRD4 3/4885ATAD2 2979/4885

“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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