SCHEMBL3465745

SCHEMBL3465745

CCCC(N)c1cncc(S(=O)(=O)NC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 3/20 0.39
PIK3CD O00329 2/20 0.37
PIK3CG P48736 2/20 0.37
CCR1 P32246 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
CA2 P00918 7/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL3465454 1.00 TNNI3K (0.39) TNNI3KPIK3CDPIK3CGCCR1SMN1; SMN2
SCHEMBL13358893 0.84 CA2 (0.35) CCR1GAACA2CA1
SCHEMBL3465680 0.84 APLNR (0.45) CCR1CA2CA12CA9CA1
SCHEMBL2398918 0.84 CCR1 (0.43) PIK3CDPIK3CGCCR1CA2CA1
SCHEMBL3465207 0.84 APLNR (0.45) CCR1CA2CA12CA9CA1
SCHEMBL3466773 0.84 CCR1 (0.43) PIK3CDPIK3CGCCR1CA2CA1
SCHEMBL14813120 0.83 PIK3CD (0.39) PIK3CDPIK3CGCCR1GAACA2
Hydrochloric Acid SCHEMBL2398909 0.82 CCR1 (0.43) PIK3CDPIK3CGCCR1CA2
SCHEMBL14813131 0.81 CA2 (0.34) CCR1CA2CA12CA9
SCHEMBL13358937 0.80 PIK3C3 (0.35) PIK3CDPIK3CGCCR1CA2LMNA

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 6 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
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 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 (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 TNNI3K 4369/4885PIK3CD 4069/4885PIK3CG 4598/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 TNNI3K 4090/4885PIK3CD 3284/4885PIK3CG 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.