SCHEMBL23960227

SCHEMBL23960227

CCc1nn(C(C)C)c2c(N)ncnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.41
ADORA1 P30542 6/20 0.41
RET P07949 3/20 0.39
SRC P12931 7/20 0.38
ABL1 P00519 5/20 0.38
HCK P08631 4/20 0.38
ADORA2B P29275 4/20 0.37
PI4KB Q9UBF8 4/20 0.37
PI4KA P42356 2/20 0.37
PI4K2B Q8TCG2 2/20 0.37
PI4K2A Q9BTU6 2/20 0.37
PIK3CD O00329 3/20 0.37
PIK3CB P42338 3/20 0.37
EGFR P00533 2/20 0.37
KDR P35968 2/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CG P48736 2/20 0.37
EPHB4 P54760 2/20 0.37
PRKDC P78527 2/20 0.37

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
SCHEMBL20334656 0.78 ADORA2A (0.42) ADORA2AADORA1RETSRCABL1
SCHEMBL20334938 0.67 ADORA2A (0.38) ADORA2AADORA1RETSRCABL1
SCHEMBL20334667 0.66 ADORA2A (0.41) ADORA2AADORA1ADORA2BPI4KBPI4KA
SCHEMBL1913702 0.65 GAA (0.38) RETPIK3CAMTOR
SCHEMBL12323880 0.64 ADORA2A (0.37) ADORA2AADORA1RETADORA2BPI4KB
SCHEMBL756293 0.64 ADORA2A (0.53) ADORA2AADORA1RETSRCABL1
SCHEMBL19733383 0.62 ADORA2A (0.47) ADORA2AADORA1ADORA2BPI4KBPI4KA
SCHEMBL13077902 0.62 ADORA2A (0.51) ADORA2AADORA1RETSRCADORA2B
SCHEMBL24499994 0.62 LIMK1 (0.41) ADORA2AADORA1SRCABL1HCK
SCHEMBL18268598 0.62 ADORA2A (0.44) ADORA2AADORA1ADORA2BPI4KBPI4KA

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-20210332057-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-10-28 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-20210332057-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF BTK, LCK, SYK ADORA2A 1602/4885ADORA1 759/4885RET 1193/4885

“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.