SCHEMBL3466038

SCHEMBL3466038

CS(=O)(=O)c1cc([CH]CCNC(N)=O)ccn1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.32
CCR1 P32246 1/20 0.32
KCNH2 Q12809 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
MTNR1A P48039 3/20 0.31
MTNR1B P49286 2/20 0.31
MAPK8 P45983 1/20 0.31
SYK P43405 1/20 0.30
PIK3CA P42336 1/20 0.30
NR3C2 P08235 1/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL3465321 0.82 DYRK1A (0.31) PIK3C3
SCHEMBL3465490 0.82 SCN10A (0.32) CCR1KCNH2PIK3C3SYKPIK3CA
SCHEMBL3465567 0.81 ALDH1A1 (0.32) CCR1KCNH2PIK3C3SYK
SCHEMBL3465962 0.80 NFE2L2 (0.31) PIK3C3
SCHEMBL3466057 0.80 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL27845941 0.79 NFE2L2 (0.32)
SCHEMBL27827248 0.79 NFE2L2 (0.32)
SCHEMBL3126398 0.77 PIK3C3 (0.34) PIK3C3SYKPIK3CASCN10A
SCHEMBL3465609 0.77 NFE2L2 (0.33)
SCHEMBL27827263 0.77 NFE2L2 (0.34)

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 KDM4D 1743/4885CCR1 1/4885KCNH2 3909/4885

“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.