SCHEMBL6286958

SCHEMBL6286958

COc1ccc(-c2cc3cnccc3[nH]2)cc1NC(=O)N(S)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F3 P13726 5/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 1/20 0.37
ICOSLG O75144 1/20 0.37
ICOS Q9Y6W8 1/20 0.37
ACLY P53396 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GSK3B P49841 1/20 0.36
CHUK O15111 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6285928 0.93 KMT2A (0.39) F3KMT2AMEN1MAPK1POLB
SCHEMBL6286360 0.90 ACLY (0.38) KMT2AMEN1ALOX15ACLYNPSR1
SCHEMBL6496749 0.87 ALOX15 (0.48) KMT2AMEN1POLBSMN1; SMN2TDP1
SCHEMBL6288186 0.86 IRAK4 (0.38) KMT2AMEN1MAPK1POLBACLY
SCHEMBL6279221 0.85 RIPK1 (0.52) MAPK1
SCHEMBL6285019 0.84 ACLY (0.36) KMT2AMEN1MAPK1POLBTDP1
SCHEMBL6504814 0.84 ACLY (0.38) KMT2AMEN1ALOX15ACLYNPSR1
SCHEMBL6288131 0.83 IRAK4 (0.40) KMT2AMEN1MAPK1POLBSMN1; SMN2
SCHEMBL6286030 0.83 ALDH1A1 (0.53) KMT2AMEN1SMN1; SMN2TDP1NPSR1
SCHEMBL6288150 0.83 ACLY (0.37) KMT2AMEN1MAPK1POLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943174-B2 6,5-Fused bicyclic heterocycles WARNER-LAMBERT COMPANY (US) 2005-09-13 US claimed
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US claimed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP claimed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
US-6943174-B2 6,5-Fused bicyclic heterocycles WARNER-LAMBERT COMPANY (US) 2005-09-13 US disclosed
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US disclosed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP disclosed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 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-20040014759-A1 6,5-Fused bicyclic heterocycles ALOX15, ALOX5, ALOX15B F3 488/4885KMT2A 4200/4885MEN1 3508/4885

“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.