SCHEMBL1379877

SCHEMBL1379877

CCOCCOc1cccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.53
NPC1 O15118 1/20 0.53
TSHR P16473 1/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
HTT P42858 1/20 0.47
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1381146 0.93 KMT2A (0.50) KMT2AMEN1TSHRMAPK1LMNA
SCHEMBL1382101 0.93 KMT2A (0.59) KMT2AMEN1NPC1TSHRMAPK1
SCHEMBL4499696 0.93 TSHR (0.52) KMT2AMEN1TSHRMAPK1LMNA
SCHEMBL1381085 0.92 TSHR (0.53) KMT2AMEN1TSHRMAPK1LMNA
SCHEMBL1377983 0.90 TSHR (0.52) KMT2AMEN1TSHRMAPK1LMNA
SCHEMBL1378065 0.90 TP53 (0.56) KMT2AMEN1TSHRMAPK1LMNA
SCHEMBL1380833 0.90 TSHR (0.51) KMT2AMEN1NPC1TSHRMAPK1
SCHEMBL1377858 0.89 TP53 (0.51) KMT2AMEN1NPC1TSHRMAPK1
SCHEMBL4512208 0.89 TP53 (0.51) KMT2AMEN1TSHRMAPK1LMNA
SCHEMBL1379156 0.89 TSHR (0.52) KMT2AMEN1TSHRMAPK1LMNA

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
JP-4769720-B2 2011-09-07 JP claimed
US-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2006-08-24 US claimed
EP-1664021-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-06-07 EP claimed
WO-2005021531-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-03-10 WO claimed
US-7521448-B2 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1664021-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
WO-2005021531-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-03-10 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-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors KIT, CHUK, TNNI3K KMT2A 518/4885MEN1 979/4885NPC1 1706/4885

“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.