SCHEMBL22024977

SCHEMBL22024977

Cc1cn(COCCC(C)(C)C)c2c(C(N)=O)ccc(Br)c12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
BTK Q06187 1/20 0.37
LTK P29376 1/20 0.30
CDK8 P49336 1/20 0.30
MAP2K1 Q02750 1/20 0.30
ROCK1 Q13464 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 1/20 0.30
ADRA1D P25100 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
SCHEMBL22025280 0.90 NOTUM (0.30)
SCHEMBL29782740 0.85 DGAT1 (0.37) JAK2BTK
SCHEMBL17699550 0.85 DGAT1 (0.37) JAK2BTK
SCHEMBL18609140 0.75
SCHEMBL12566697 0.73 DGAT1 (0.36)
SCHEMBL17699930 0.68 DGAT1 (0.43)
SCHEMBL29782705 0.68 DGAT1 (0.43)
SCHEMBL18609369 0.68
SCHEMBL29782876 0.64 NPC1 (0.39)
SCHEMBL17699642 0.64 NPC1 (0.39)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165222-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 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 (1 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-20200165222-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 JAK2 2/4885BTK 1/4885LTK 66/4885

“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.