SCHEMBL21851263

SCHEMBL21851263

CCCCn1nc(Br)c2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.51
▸ ADORA2B P29275 4/20 0.51
▸ ADORA1 P30542 4/20 0.51
▸ RET P07949 2/20 0.50
▸ JAK2 O60674 5/20 0.44
▸ JAK3 P52333 5/20 0.44
▸ JAK1 P23458 4/20 0.44
▸ HDAC1 Q13547 2/20 0.42
▸ SRC P12931 1/20 0.42
▸ ADK P55263 3/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL29052149 0.91 ADORA2A (0.49) ADORA2AADORA2BADORA1RETJAK2
SCHEMBL29781034 0.91 ADORA2A (0.49) ADORA2AADORA2BADORA1RETJAK2
SCHEMBL19476294 0.85 RET (0.48) RETJAK2JAK3JAK1HDAC1
SCHEMBL15826969 0.84 PIK3CD (0.51) ADORA2AADORA2BADORA1RETJAK2
SCHEMBL21293809 0.82 ADORA2A (0.48) ADORA2AADORA2BADORA1RETJAK2
SCHEMBL19623303 0.82 ADORA2A (0.48) ADORA2AADORA2BADORA1RETHDAC1
SCHEMBL19476278 0.82 ADORA2A (0.49) ADORA2AADORA2BADORA1RETJAK2
SCHEMBL29780904 0.82 JAK2 (0.46) ADORA2AADORA2BADORA1RETJAK2
SCHEMBL29052236 0.82 JAK2 (0.46) ADORA2AADORA2BADORA1RETJAK2
SCHEMBL29052129 0.80 JAK2 (0.45) ADORA2AADORA2BADORA1RETJAK2

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-10611766-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer LOXO ONCOLOGY INC. (US) 2020-04-07 — — 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-10611766-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK ADORA2A 4466/4885ADORA2B 4482/4885ADORA1 4550/4885

“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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