SCHEMBL3937375

SCHEMBL3937375

COc1ccnc(N(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
USP30 Q70CQ3 2/20 0.38
PLAU P00749 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
PAX8 Q06710 1/20 0.35
DYRK1A Q13627 1/20 0.35
SSTR4 P31391 1/20 0.34
PROKR1 Q8TCW9 2/20 0.34
TTK P33981 1/20 0.34
RIOK2 Q9BVS4 2/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL828662 0.82 NPC1 (0.42) CCR1CCR5CCR8NOS3NOS1
SCHEMBL29650144 0.81 CNR2 (0.42) USP30LMNAAAK1PAX8SSTR4
SCHEMBL3928632 0.81 CNR2 (0.42) USP30LMNAAAK1PAX8SSTR4
SCHEMBL29580743 0.81 SSTR4 (0.40) USP30KDM4EAAK1PAX8SSTR4
SCHEMBL29417518 0.81 USP30 (0.39) USP30AAK1PAX8SSTR4TTK
SCHEMBL25295526 0.81 SSTR4 (0.40) USP30AAK1PAX8SSTR4TTK
SCHEMBL12678539 0.81 SSTR4 (0.40) USP30KDM4EAAK1PAX8SSTR4
SCHEMBL16989275 0.81 KDM4E (0.47) USP30KDM4EMAPK1DYRK1A
SCHEMBL13588405 0.80 USP30 (0.38) USP30AAK1PAX8SSTR4PROKR1
SCHEMBL15070166 0.79 AAK1 (0.39) USP30LMNAKDM4EMAPK1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1918127-B New cyclocompound having 4-pyridylalkylthio group to which substituted or unsubstituted amino group is introduced SANTEN PHARMACEUTICAL CO.,LTD. (JP) 2012-02-15 CN disclosed
US-20090054428-A1 NOVEL PYRIMIDINE DERIVATIVES 965 ASTRAZENECA AB (SE) 2009-02-26 US disclosed
WO-2009010794-A1 2,4-DIAMINO-PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
CN-1918127-A New cyclocompound having 4-pyridylalkylthio group to which sustituted or unsubstituted amino group is introduced SANTEN PHARMACEUTICAL CO LTD (JP) 2007-02-21 CN 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-20090054428-A1 NOVEL PYRIMIDINE DERIVATIVES 965 EPHB4, EPHB1, EPHB3 CCR1 2126/4885CCR5 1063/4885CCR8 3080/4885

“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.