SCHEMBL3580375

SCHEMBL3580375

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4ccc5cccnc54)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 16/20 0.39
KCNH2 Q12809 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
CPT1A P50416 3/20 0.34
CPT2 P23786 1/20 0.34
CPT1B Q92523 1/20 0.34

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
SCHEMBL3587639 0.89 CXCR3 (0.47) CXCR3KCNH2
SCHEMBL13031426 0.87 CXCR3 (0.40) CXCR3KCNH2RXFP1
SCHEMBL3581779 0.85 TLR9 (0.34) KCNH2CPT1ACPT2CPT1B
SCHEMBL3584282 0.84 KCNH2 (0.34) KCNH2CPT1ACPT2CPT1B
Hydrochloric Acid SCHEMBL3588301 0.83 CPT1A (0.34) CPT1ACPT2CPT1B
SCHEMBL3588046 0.83 ALK (0.34) CPT1ACPT2
SCHEMBL3589593 0.82 LMNA (0.40) CXCR3KCNH2CPT1ACPT2
SCHEMBL3592264 0.82 CPT1A (0.33) CPT1ACPT2CPT1B
SCHEMBL3593480 0.82 CPT1A (0.35) KCNH2CPT1ACPT2CPT1B
SCHEMBL3581098 0.82 CPT1A (0.33) CPT1ACPT2CPT1B

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-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 (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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 2030/4885RXFP1 359/4885

“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.