SCHEMBL10120016

SCHEMBL10120016

CC(C)c1coc2c(N)ncnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.37
ADORA2A P29274 7/20 0.34
ADORA1 P30542 7/20 0.34
ADORA2B P29275 4/20 0.34
PI4KB Q9UBF8 2/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
CLK1 P49759 3/20 0.34
KDR P35968 2/20 0.33
CDC7 O00311 2/20 0.33
CDK5 Q00535 2/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHEK2 O96017 1/20 0.33

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
SCHEMBL2610983 0.76 LIMK1 (0.40) LIMK1ADORA2AADORA1ADORA2BCLK1
SCHEMBL15340426 0.74 NR4A2 (0.32)
SCHEMBL22601399 0.72 LIMK1 (0.40) LIMK1PI4KBPI4KAPI4K2BPI4K2A
SCHEMBL6928152 0.71 KDR (0.47) LIMK1ADORA2AADORA1ADORA2BPI4KB
SCHEMBL19402853 0.71 LIMK1 (0.37) LIMK1ADORA2AADORA1PI4KBPI4KA
SCHEMBL24499986 0.68 LIMK1 (0.37) LIMK1ADORA2AADORA1ADORA2BPI4KB
SCHEMBL15340441 0.68 LIMK1 (0.40) LIMK1ADORA2AADORA1ADORA2BPI4KB
SCHEMBL12596494 0.67 NAPRT (0.37) LIMK1CLK1KDRCDC7CDK5
SCHEMBL12565910 0.66 CA1 (0.32) HPGD
SCHEMBL6926808 0.66 NOS3 (0.36) KDM4EUSP2ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 US disclosed
US-20170275322-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS MEDIVIR AB (SE) 2017-09-28 US disclosed
US-9090642-B2 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2015-07-28 US disclosed
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
WO-2012012465-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS CLARKE, MICHAEL, O'NEIL HANRAHAN (US) 2012-01-26 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 (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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 LIMK1 79/4885ADORA2A 309/4885ADORA1 227/4885
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP LIMK1 4647/4885ADORA2A 708/4885ADORA1 815/4885
US-20170275322-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PNP, PAICS, NUDT1 LIMK1 4595/4885ADORA2A 285/4885ADORA1 378/4885

“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.