SCHEMBL1780587

SCHEMBL1780587

COc1cc2c(-c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCN3CCOCC3)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
TP53 P04637 1/20 0.39
GSK3B P49841 4/20 0.38
KDR P35968 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RCE1 Q9Y256 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
QPCT Q16769 2/20 0.37
HTR6 P50406 1/20 0.36
CNR1 P21554 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL3098950 0.90 KMT2A (0.39) KMT2ANPC1USP2MKNK2GSK3B
SCHEMBL1748711 0.90 KMT2A (0.40) KMT2ANPC1USP2KDRKDM4E
SCHEMBL1749221 0.88 TP53 (0.43) MKNK2TP53GSK3BL3MBTL1CNR1
SCHEMBL1748859 0.88 KIT (0.39) KMT2ANPC1USP2MKNK2TP53
SCHEMBL5819132 0.87 HPGD (0.38) TP53GSK3BL3MBTL1HTR6SMN1; SMN2
SCHEMBL1748835 0.87 TP53 (0.42) KMT2ATP53KDM4EL3MBTL1NPSR1
SCHEMBL1748581 0.87 TP53 (0.42) KMT2ATP53KDM4EL3MBTL1NPSR1
SCHEMBL1749045 0.87 TP53 (0.42) KMT2ATP53GSK3BKDM4EL3MBTL1
SCHEMBL1748698 0.87 TP53 (0.39) KMT2ANPC1USP2MKNK2TP53
SCHEMBL1748894 0.86 TP53 (0.42) KMT2ATP53GSK3BKDM4EL3MBTL1

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-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 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 (2 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 KMT2A 991/4885NPC1 2780/4885USP2 2963/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 KMT2A 2412/4885NPC1 3333/4885USP2 3216/4885

“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.