SCHEMBL352703

SCHEMBL352703

Cn1nc(C(C)(C)C)cc1C(=N)N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.61
SORT1 Q99523 4/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 3/20 0.43
AAK1 Q2M2I8 1/20 0.40
AURKA O14965 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
LTK P29376 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
GALR3 O60755 2/20 0.38
RAB9A P51151 1/20 0.38
CTSL P07711 3/20 0.37
MAPK14 Q16539 2/20 0.37
LMNA P02545 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
SCHEMBL352072 0.81 GRN (0.71) GRNSORT1KDM4EMAPTAAK1
Hydrochloric Acid SCHEMBL6312227 0.78 KDM4E (0.56) GRNSORT1KDM4EMAPTAAK1
SCHEMBL1572486 0.76 GRN (1.00) GRNSORT1KDM4EMAPTAAK1
SCHEMBL8260077 0.76 GRN (0.73) GRNSORT1KDM4EMAPTAAK1
SCHEMBL15149755 0.75 NOS1 (0.38) GRNSORT1KDM4EAURKACSF1R
SCHEMBL12868385 0.74 GRN (0.71) GRNSORT1KDM4EMAPTAAK1
Hydrochloric Acid SCHEMBL8760885 0.74 GRN (0.96) GRNSORT1KDM4EMAPTAAK1
SCHEMBL350765 0.74 GRN (0.71) GRNSORT1KDM4EMAPTAAK1
SCHEMBL10146249 0.74 GRN (0.65) GRNSORT1KDM4EMAPTAAK1
SCHEMBL350954 0.74 KDM4E (0.65) GRNSORT1KDM4EMAPTAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
EP-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 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 (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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 GRN 4810/4885SORT1 2723/4885KDM4E 2157/4885

“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.