SCHEMBL20334656

SCHEMBL20334656

CC(C)c1nn(C(C)C)c2c(N)ncnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
PI4KB Q9UBF8 5/20 0.39
ADORA2B P29275 2/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
SRC P12931 11/20 0.38
ABL1 P00519 9/20 0.38
PIK3CD O00329 5/20 0.38
PIK3CA P42336 5/20 0.38
PIK3CB P42338 5/20 0.38
PIK3CG P48736 5/20 0.38
PRKDC P78527 5/20 0.38
KDR P35968 5/20 0.38
EGFR P00533 4/20 0.38
HCK P08631 4/20 0.38
MTOR P42345 4/20 0.38
EPHB4 P54760 4/20 0.38
RET P07949 6/20 0.38

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
SCHEMBL20334938 0.89 ADORA2A (0.38) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL24499994 0.81 LIMK1 (0.41) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL20334667 0.78 ADORA2A (0.41) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL23960227 0.78 ADORA2A (0.41) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL6925165 0.73 SRC (0.58) PI4KBSRCABL1PIK3CDPIK3CA
SCHEMBL23960265 0.72 RET (0.36) ADORA2AADORA1PI4KBSRCABL1
SCHEMBL409234 0.67 ADORA2A (0.50) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL756293 0.66 ADORA2A (0.53) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL459311 0.64 LIMK1 (0.41) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL13077902 0.64 ADORA2A (0.51) ADORA2AADORA1PI4KBADORA2BPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144843-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-05-12 US disclosed
US-20210332057-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-10-28 US disclosed
US-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family PHARMASCIENCE INC. (CA) 2018-06-28 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 (3 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 759/4885PI4KB 705/4885
US-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family TEC, BTK, LCK ADORA2A 4885/4885ADORA1 4881/4885PI4KB 203/4885
US-20220144843-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF BTK, LCK, SYK ADORA2A 1602/4885ADORA1 759/4885PI4KB 705/4885

“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.