SCHEMBL3465078

SCHEMBL3465078

CS(=O)(=O)c1cncc([CH]CC(N)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
PIK3CG P48736 7/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CD O00329 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
AURKA O14965 1/20 0.34
ROCK2 O75116 1/20 0.34
CHEK2 O96017 1/20 0.34
CDK1 P06493 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR3 P22607 1/20 0.34
CDK2 P24941 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3A P49840 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
SCHEMBL568488 0.87 PLK4 (0.38) AURKAROCK2CHEK2PIM1CDK2
SCHEMBL3465378 0.86 APLNR (0.49) PIK3CGPIK3CDAPLNRRAF1PKMYT1
SCHEMBL3465572 0.85 CYP11B2 (0.36) CYP11B2PIK3CGPIK3CBPIK3CDPIK3CA
SCHEMBL568457 0.81 CYP11B2 (0.40) CYP11B2PIK3CGPIK3CBPIK3CDPIK3CA
SCHEMBL27827231 0.80 PIK3CG (0.35) CYP11B2PIK3CGPIK3CBPIK3CDPIK3CA
SCHEMBL3465397 0.77 ALDH1A1 (0.40) LMNANAMPT
SCHEMBL5700587 0.77 PIK3CG (0.36) CYP11B2PIK3CGPIK3CBPIK3CDPIK3CA
SCHEMBL3465551 0.76 PIK3CG (0.33) PIK3CGPIK3CBPIK3CDPIK3CAPIK3C3
SCHEMBL3464901 0.74 KDM4E (0.45)
SCHEMBL9954849 0.74 CYP11B2 (0.40) CYP11B2PIK3CGPIK3CBPIK3CDPIK3CA

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 7 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-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
EP-2493875-B1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 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

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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CYP11B2 1720/4885PIK3CG 4598/4885PIK3CB 4434/4885
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 CYP11B2 1091/4885PIK3CG 4475/4885PIK3CB 4422/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CYP11B2 354/4885PIK3CG 3407/4885PIK3CB 2313/4885

“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.