SCHEMBL13031392

SCHEMBL13031392

Cc1cc(C)n(CC(=O)N2CCC(c3cnc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)s3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.41
KCNH2 Q12809 2/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
NAMPT P43490 1/20 0.36
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13031527 0.89 RXRA (0.34) CXCR3KCNH2POLBALDH1A1LMNA
SCHEMBL13031433 0.89 GAA (0.46) POLBALDH1A1LMNAGAAKDM4E
SCHEMBL13031504 0.87 KMT2A (0.32) CXCR3KCNH2POLBALDH1A1MEN1
SCHEMBL13031390 0.87 CXCR3 (0.39) CXCR3KCNH2POLBALDH1A1LMNA
SCHEMBL13031357 0.86 CXCR3 (0.40) CXCR3KCNH2GRIN1GRIN2B
SCHEMBL13031451 0.85 MAPT (0.35) POLBLMNAGRIN1GRIN2B
SCHEMBL13031437 0.85 CCR1 (0.33) POLBALDH1A1LMNAGAAKMT2A
SCHEMBL13031516 0.83 RORC (0.34) KCNH2GRIN1GRIN2BSMN1; SMN2
SCHEMBL3577015 0.83 CXCR3 (0.41) CXCR3KCNH2POLBALDH1A1LMNA
SCHEMBL13031272 0.82 ALDH1A1 (0.38) POLBALDH1A1LMNAGRIN1GRIN2B

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 3 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 disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO 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 2030/4885POLB 4548/4885

“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.