SCHEMBL1380969

SCHEMBL1380969

O=C(NCCN1CCOCC1)c1ccc2c(c1)ncn2-c1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.57
ABL1 P00519 4/20 0.52
BCR P11274 2/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47
KCNH2 Q12809 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL1379134 0.90 EPHX2 (0.55) EPHX2ABL1BCRMEN1KMT2A
SCHEMBL1379770 0.86 MEN1 (0.60) EPHX2ABL1BCRMEN1KMT2A
SCHEMBL1379687 0.86 MAPT (0.55) ABL1MEN1KMT2AHPGDALDH1A1
SCHEMBL1381832 0.85 EPHX2 (0.53) EPHX2ABL1BCRMEN1KMT2A
SCHEMBL1381407 0.83 CD274 (0.55) EPHX2MEN1KMT2AHPGDALDH1A1
SCHEMBL1380711 0.83 MEN1 (0.51) EPHX2MEN1KMT2AHPGDALDH1A1
SCHEMBL1378309 0.83 RIPK1 (0.59) MEN1KMT2AHPGDALDH1A1MAPK1
SCHEMBL1380313 0.82 MAPT (0.50) EPHX2MEN1KMT2AHPGDALDH1A1
SCHEMBL1378766 0.81 TP53 (0.52) ABL1MEN1KMT2AHPGDALDH1A1
SCHEMBL1381954 0.81 KMT2A (0.58) EPHX2ABL1BCRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4769720-B2 2011-09-07 JP claimed
US-7521448-B2 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-04-21 US 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 EPHX2 2846/4885ABL1 4/4885BCR 193/4885

“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.