SCHEMBL1380971

SCHEMBL1380971

CC(C)NC(=O)c1ccc2c(c1)ncn2-c1ccc(OCc2ccc(SC(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
RIPK3 Q9Y572 1/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
TP53 P04637 4/20 0.47
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.45
GSK3B P49841 1/20 0.45
PTPRZ1 P23471 1/20 0.45
HPGD P15428 4/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN7 P35236 1/20 0.42

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
SCHEMBL1380126 0.91 RIPK1 (0.59) RIPK1RIPK3MAPTALDH1A1MEN1
SCHEMBL1378060 0.90 MEN1 (0.53) RIPK1RIPK3MAPTALDH1A1MEN1
SCHEMBL1383460 0.89 HPGD (0.53) RIPK1RIPK3MAPTALDH1A1MEN1
SCHEMBL1379073 0.87 MEN1 (0.52) RIPK1RIPK3MAPTALDH1A1MEN1
SCHEMBL1378500 0.87 FGFR1 (0.53) RIPK1RIPK3ALDH1A1MEN1KMT2A
SCHEMBL1379253 0.86 MAPT (0.50) RIPK1RIPK3MAPTALDH1A1MEN1
SCHEMBL1382124 0.85 MAPT (0.49) RIPK1RIPK3MAPTALDH1A1MEN1
SCHEMBL1380259 0.82 KMT2A (0.44) RIPK1RIPK3MAPTALDH1A1MEN1
SCHEMBL1379018 0.81 MEN1 (0.52) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL1380812 0.80 RIPK1 (0.63) RIPK1RIPK3MAPTALDH1A1MEN1

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 RIPK1 3003/4885RIPK3 2818/4885MAPT 4641/4885

“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.