SCHEMBL10283145

SCHEMBL10283145

Cc1nc2c(c(NC3CCOCC3)n1)[S+]([O-])CC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.36
▸ MAPK1 P28482 3/20 0.35
▸ PDE4D Q08499 4/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ NSD2 O96028 1/20 0.31

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
SCHEMBL20840622 0.84 MAPK1 (0.35) PIK3CAMAPK1PDE4D
SCHEMBL516176 0.84 MAPK1 (0.35) PIK3CAMAPK1PDE4D
SCHEMBL8061460 0.84 KCNH2 (0.36) PIK3CAMAPK1PDE4DPIK3CDPIK3CB
SCHEMBL20851935 0.84 MAPK1 (0.35) PIK3CAMAPK1PDE4D
SCHEMBL26980840 0.78 PDE4D (0.39) PIK3CAMAPK1PDE4D
SCHEMBL20838974 0.77 PDE4D (0.44) PDE4D
SCHEMBL22264619 0.77 PDE4D (0.44) PDE4D
SCHEMBL10265576 0.77 EML4 (0.36) PDE4DIRAK4
SCHEMBL16503391 0.77 MAPK1 (0.37) PIK3CAMAPK1LRRK2IRAK4NSD2
SCHEMBL8040697 0.77 PDE4D (0.35) PDE4DPDE4APDE4BPDE4C

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
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 — — EP disclosed
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — 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 (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-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PDE4A, PDE12, PDE3B PIK3CA 1923/4885MAPK1 1688/4885PDE4D 16/4885

“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.

Send feedback