SCHEMBL1380833

SCHEMBL1380833

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(OCCCOc2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
KMT2A Q03164 3/20 0.51
HPGD P15428 2/20 0.50
TP53 P04637 4/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 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
SCHEMBL1379156 0.96 TSHR (0.52) TSHRKMT2AHPGDTP53MEN1
SCHEMBL1380451 0.93 TP53 (0.51) TSHRKMT2AHPGDTP53MEN1
SCHEMBL1381085 0.93 TSHR (0.53) TSHRKMT2AHPGDTP53MEN1
SCHEMBL4512840 0.93 TSHR (0.52) TSHRKMT2AHPGDTP53MEN1
SCHEMBL1377244 0.93 HTT (0.56) TSHRKMT2AHPGDTP53MEN1
SCHEMBL1382911 0.93 TP53 (0.56) TSHRKMT2AHPGDTP53MEN1
SCHEMBL1381398 0.93 TP53 (0.52) TSHRKMT2AHPGDTP53MEN1
SCHEMBL1379272 0.92 TP53 (0.52) TSHRKMT2AHPGDTP53MEN1
SCHEMBL4512208 0.92 TP53 (0.51) TSHRKMT2AHPGDTP53MEN1
SCHEMBL4499696 0.92 TSHR (0.52) TSHRKMT2AHPGDTP53MEN1

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 TSHR 4369/4885KMT2A 518/4885HPGD 1154/4885

“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.