SCHEMBL3581647

SCHEMBL3581647

Cc1nc(C)n(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)n3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 12/20 0.36
KCNH2 Q12809 3/20 0.35
RORC P51449 1/20 0.34
SHMT1 P34896 1/20 0.33
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 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
SCHEMBL3582043 0.92 CXCR3 (0.39) CXCR3KCNH2
SCHEMBL3589533 0.89 CXCR3 (0.35) CXCR3KCNH2SHMT1
SCHEMBL3577015 0.87 CXCR3 (0.41) CXCR3KCNH2RORC
SCHEMBL3576143 0.87 CXCR3 (0.36) CXCR3KCNH2CPT2CPT1A
SCHEMBL3589124 0.85 TP53 (0.33) RORCSHMT1CPT2CPT1ACPT1B
SCHEMBL3592654 0.85 RORC (0.33) RORCSHMT1
SCHEMBL3596505 0.84 SHMT1 (0.36) CXCR3KCNH2RORCSHMT1CPT2
SCHEMBL3589462 0.84 GAA (0.46) RORCCPT1A
SCHEMBL3595230 0.84 RORC (0.36) RORCSHMT1CPT2CPT1ACPT1B
SCHEMBL13031357 0.84 CXCR3 (0.40) CXCR3KCNH2RORC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US claimed
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 CXCR3 1858/4885KCNH2 592/4885RORC 2345/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 2030/4885RORC 85/4885

“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.