SCHEMBL22145377

SCHEMBL22145377

COC1(OC)CCC(NNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
BTK Q06187 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
APLNR P35414 1/20 0.36
EPHX1 P07099 1/20 0.35
CTSK P43235 3/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CTSS P25774 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6344084 0.86 GAA (0.43) GAABTKKMT2AMEN1MAPK1
SCHEMBL15600327 0.84 GAA (0.44) GAABTKKMT2AMEN1MAPK1
SCHEMBL2074992 0.83 GAA (0.51) GAABTKKMT2AMEN1MAPK1
SCHEMBL31168732 0.83 GAA (0.43) GAABTKKMT2AMEN1MAPK1
SCHEMBL21025595 0.81 GAA (0.42) GAABTKKMT2AMEN1MAPK1
SCHEMBL4492849 0.80 BTK (0.58) GAABTKKMT2AMEN1MAPK1
SCHEMBL573789 0.80 GAA (0.61) GAABTKKMT2AMEN1MAPK1
SCHEMBL20074687 0.79 BTK (0.44) GAABTKKMT2AMEN1MAPK1
SCHEMBL14564872 0.79 BTK (0.44) GAABTKKMT2AMEN1MAPK1
SCHEMBL54785 0.79 GAA (0.40) GAABTKKMT2AMEN1MAPK1

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-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 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 (2 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-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient BTK, SYK, LCK GAA 1550/4885BTK 1/4885KMT2A 1861/4885
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT BTK, SYK, LCK GAA 1550/4885BTK 1/4885KMT2A 1861/4885

“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.