SCHEMBL6286254

SCHEMBL6286254

COc1ccc(-c2nc3nccnc3[nH]2)cc1NC(=O)N(S)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 2/20 0.39
VCP P55072 1/20 0.39
IGF1R P08069 1/20 0.38
ENPP1 P22413 1/20 0.38
ACLY P53396 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
AMY1A P0DUB6 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
RUVBL1 Q9Y265 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35

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
SCHEMBL6288129 0.88 MAPT (0.41) GSK3BMEN1KMT2AVCPIGF1R
SCHEMBL6288126 0.84 AMY1A (0.40) GSK3BMEN1KMT2AVCPACLY
SCHEMBL6286030 0.83 ALDH1A1 (0.53) GSK3BMEN1KMT2AVCPENPP1
SCHEMBL6286108 0.83 AMY1A (0.38) GSK3BMEN1KMT2APOLBVCP
SCHEMBL6286006 0.83 CCNB2 (0.44) GSK3BMEN1KMT2APOLBACLY
SCHEMBL6711333 0.81 AMY1A (0.43) MEN1KMT2AVCPACLYNPSR1
SCHEMBL6279221 0.81 RIPK1 (0.52) IGF1RMAPK1
SCHEMBL6286246 0.79 KMT2A (0.49) GSK3BMEN1KMT2APOLBNPSR1
SCHEMBL6286020 0.79 VCP (0.48) GSK3BMEN1KMT2APOLBVCP
SCHEMBL6285928 0.79 KMT2A (0.39) GSK3BMEN1KMT2APOLBACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GSK3B 3550/4885MEN1 3508/4885KMT2A 4200/4885

“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.