SCHEMBL3464045

SCHEMBL3464045

CN(C)S(=O)(=O)CNc1ccc(CN)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PSIP1 O75475 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
HCAR3 P49019 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL3129475 0.79 TSHR (0.51) HPGDKDM4EALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL568294 0.78 TSHR (0.50) HPGDKDM4EALDH1A1LMNAGAA
SCHEMBL3464039 0.77 NNMT (0.55) SMN1; SMN2HCAR3
SCHEMBL3465096 0.74 CYP2C19 (0.53) TLR7
SCHEMBL1877717 0.73 KDM4E (0.44) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL12920970 0.73 KEAP1 (0.36) SMN1; SMN2KDM4EALDH1A1LMNAGAA
SCHEMBL17451417 0.71 HCAR3 (0.41) SMN1; SMN2KDM4ETDP1HCAR3
SCHEMBL3123376 0.70 PSIP1 (0.38) HPGDSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL479854 0.70 NNMT (0.47) HCAR3
Hydrochloric Acid SCHEMBL31647072 0.69 DEGS1 (0.40) KDM4EMAPTMEN1KMT2ATDP1

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-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP 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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 HPGD 1380/4885SMN1; SMN2 1172/4885KDM4E 2535/4885

“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.