SCHEMBL13031347

SCHEMBL13031347

COC(=O)Cc1ncn(CC(=O)N2CCC(c3cnc(-c4cc(C(C)(C)C)c(OC)c(C(C)(C)C)c4)s3)CC2)c1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 0.32
P2RX3 P56373 4/20 0.31
P2RX2 Q9UBL9 4/20 0.31
MEN1 O00255 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
KCNH2 Q12809 1/20 0.31
NPY5R Q15761 1/20 0.31
ALK Q9UM73 1/20 0.30
GRIN2B Q13224 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
SCHEMBL13031350 0.93 SMN1; SMN2 (0.33) KMT2ASMN1; SMN2NPC1RAB9APTGS2
SCHEMBL13031326 0.92 KCNH2 (0.36) KMT2ASMN1; SMN2NPC1RAB9APTGS2
SCHEMBL3596525 0.86 CPT1A (0.33) KMT2AKCNH2
SCHEMBL13031178 0.85 IRAK4 (0.34) PTGS2PTGS1P2RX3P2RX2
SCHEMBL13031372 0.84 PTGS2 (0.35) KMT2ASMN1; SMN2NPC1RAB9APTGS2
SCHEMBL13031362 0.84 KMT2A (0.33) KMT2ASMN1; SMN2NPC1RAB9APTGS2
SCHEMBL13072300 0.83 KMT2A (0.34) KMT2ASMN1; SMN2NPC1RAB9APTGS2
SCHEMBL13031479 0.82 NAMPT (0.36) PTGS2PTGS1KCNH2GRIN2B
SCHEMBL13031134 0.82 PTGS2 (0.35) SMN1; SMN2NPC1RAB9APTGS2PTGS1
SCHEMBL13031408 0.81 LMNA (0.41) SMN1; SMN2CCNE1CDK2CDK5KCNH2

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 KMT2A 3866/4885SMN1; SMN2 4711/4885NPC1 1365/4885

“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.