SCHEMBL1380132

SCHEMBL1380132

O=C(NCCCN1CCOCC1)c1ccc2c(c1)ncn2-c1ccc(OCCOc2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
HPGD P15428 2/20 0.65
TSHR P16473 2/20 0.59
USP2 O75604 1/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
FGFR1 P11362 3/20 0.56
SRC P12931 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.50
CYP2D6 P10635 1/20 0.49
CD274 Q9NZQ7 1/20 0.48

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
SCHEMBL1377307 0.98 MEN1 (0.65) MEN1KMT2AHPGDTSHRUSP2
SCHEMBL1378814 0.95 L3MBTL1 (0.58) MEN1KMT2AHPGDTSHRUSP2
SCHEMBL1378868 0.94 MEN1 (0.59) MEN1KMT2AHPGDTSHRUSP2
SCHEMBL1379909 0.92 HPGD (0.61) MEN1KMT2AHPGDTSHRUSP2
SCHEMBL1378425 0.91 KMT2A (0.58) MEN1KMT2AHPGDTSHRUSP2
SCHEMBL1380499 0.86 NTRK1 (0.55) MEN1KMT2AHPGDL3MBTL1MAPK1
SCHEMBL1377927 0.86 MEN1 (0.55) MEN1KMT2AHPGDL3MBTL1MAPK1
SCHEMBL1379770 0.84 MEN1 (0.60) MEN1KMT2AHPGDTSHRUSP2
SCHEMBL1377140 0.84 KMT2A (0.67) MEN1KMT2AHPGDMAPK1ALDH1A1
SCHEMBL1381939 0.83 KMT2A (0.54) MEN1KMT2AHPGDMAPK1CYP2C9

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 MEN1 979/4885KMT2A 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.