SCHEMBL3439401

SCHEMBL3439401

CN(c1nccc(C[N+]#N)n1)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PTK2 Q05397 1/20 0.32
IKBKB O14920 2/20 0.32
CHUK O15111 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
SCHEMBL569064 0.80 MEN1 (0.34) MEN1KMT2AHSD17B10PTK2IKBKB
SCHEMBL10274788 0.76 MEN1 (0.32) MEN1KMT2AHSD17B10PTK2IKBKB
SCHEMBL569097 0.70 CTSK (0.41) KMT2APTK2IKBKBCHUK
SCHEMBL23015749 0.68 CHRNA7 (0.38) IKBKBCHUK
SCHEMBL1751661 0.66 KMT2A (0.39) MEN1KMT2AHSD17B10PTK2IKBKB
SCHEMBL3128733 0.66 PIK3C3 (0.35) MEN1KMT2AHSD17B10PTK2IKBKB
SCHEMBL27234420 0.66 AR (0.42) HSD17B10
SCHEMBL14479709 0.61 MEN1 (0.45) MEN1KMT2AHSD17B10PTK2IKBKB
SCHEMBL17993855 0.59 MEN1 (0.41) MEN1KMT2AHSD17B10PTK2IKBKB
SCHEMBL30311866 0.59 IKBKB (0.35) MEN1KMT2AHSD17B10IKBKBCHUK

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
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 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-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 MEN1 2598/4885KMT2A 2839/4885HSD17B10 3119/4885

“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.