SCHEMBL3129453

SCHEMBL3129453

CS(=O)(=O)c1cncc(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
PIK3CG P48736 4/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CCR1 P32246 1/20 0.38
LOXL2 Q9Y4K0 9/20 0.37
LOX P28300 1/20 0.37
PSIP1 O75475 1/20 0.37
APLNR P35414 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL3121628 0.83 PSIP1 (0.53) LOXL2LOXPSIP1APLNRCA12
SCHEMBL9978250 0.82 APLNR (0.55) PIK3CGPIK3CDLOXL2PSIP1APLNR
SCHEMBL9908622 0.82 PTGS2 (0.39) PRMT5WDR77PIK3CGPIK3CDPIK3CA
SCHEMBL1419733 0.81 HRH1 (0.42) PRMT5WDR77PIK3CGPIK3CDPIK3CA
SCHEMBL25230493 0.81 CCR1 (0.36) PRMT5WDR77PIK3CGPIK3CDPIK3CA
SCHEMBL17169788 0.81 PIK3CG (0.36) PRMT5WDR77PIK3CGPIK3CDPIK3CA
SCHEMBL17161760 0.81 PTGS2 (0.39) PRMT5WDR77PIK3CGPIK3CDPIK3CA
SCHEMBL29541780 0.81 PIK3CG (0.36) PRMT5WDR77PIK3CGPIK3CDPIK3CA
SCHEMBL30407046 0.81 CCR1 (0.36) PRMT5WDR77PIK3CGPIK3CDPIK3CA
SCHEMBL9954849 0.80 CYP11B2 (0.40) PRMT5WDR77PIK3CGPIK3CDPIK3CA

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
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 PRMT5 399/4885WDR77 543/4885PIK3CG 4598/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 PRMT5 1413/4885WDR77 2077/4885PIK3CG 3407/4885

“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.