SCHEMBL23239683

SCHEMBL23239683

CC(C)c1nn(C)c2c(N)nccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
HASPIN Q8TF76 1/20 0.33
NOS3 P29474 3/20 0.32
NOS2 P35228 3/20 0.32
MAPK8 P45983 1/20 0.32
F12 P00748 1/20 0.31
PLAU P00749 1/20 0.31
NCF1 P14598 1/20 0.31
NOS1 P29475 1/20 0.31
BACE1 P56817 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
LIMK1 P53667 1/20 0.30
TNK2 Q07912 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
SCHEMBL23960265 0.82 RET (0.36) ADORA1NOS3NOS2ADORA2A
SCHEMBL25061711 0.80 NOS2 (0.33) HASPINNOS3NOS2ADORA2AADORA2B
SCHEMBL21911027 0.77 NOS2 (0.39) ADORA1NOS3NOS2F12PLAU
SCHEMBL24499994 0.71 LIMK1 (0.41) ADORA1ADORA3ADORA2AADORA2BLIMK1
SCHEMBL24492941 0.71 NOS2 (0.45) HASPINNOS3NOS2F12PLAU
SCHEMBL19954876 0.69 SSTR4 (0.50) ADORA1ADORA3MAPK8
SCHEMBL26741073 0.69 ADORA3 (0.41) ADORA1ADORA3MAPK8
SCHEMBL31582863 0.68 ADORA3 (0.40) ADORA1ADORA3MAPK8
SCHEMBL23979724 0.68 ADORA3 (0.40) ADORA1ADORA3MAPK8
SCHEMBL26741172 0.68 ADORA3 (0.37) ADORA1ADORA3MAPK8

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-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-23 US disclosed
WO-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 WO 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-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES HCK, LYN, BTK ADORA1 4811/4885ADORA3 4836/4885HASPIN 1017/4885

“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.