SCHEMBL1378469

SCHEMBL1378469

O=C(NCC1CCOCC1)c1ccc2c(c1)ncn2-c1cccc(OCCOc2ccc(F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 4/20 0.48
KMT2A Q03164 3/20 0.47
HPGD P15428 5/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.44
TTK P33981 2/20 0.44
FGFR1 P11362 2/20 0.43
SRC P12931 2/20 0.43
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 1/20 0.43
AOC2 O75106 1/20 0.42
MEN1 O00255 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
SCHEMBL1379658 0.89 HPGD (0.56) MAPK1SMN1; SMN2TP53KMT2AHPGD
SCHEMBL1379392 0.83 MAPT (0.46) MAPK1SMN1; SMN2TP53KMT2AHPGD
SCHEMBL1377663 0.82 HPGD (0.69) MAPK1SMN1; SMN2TP53KMT2AHPGD
SCHEMBL1379909 0.82 HPGD (0.61) MAPK1SMN1; SMN2TP53KMT2AHPGD
SCHEMBL1381221 0.80 HPGD (0.56) MAPK1SMN1; SMN2TP53KMT2AHPGD
SCHEMBL5794913 0.79 FGFR1 (0.61) MAPK1SMN1; SMN2TP53HPGDCYP1A2
SCHEMBL1379900 0.79 KMT2A (0.57) MAPK1SMN1; SMN2TP53KMT2AHPGD
SCHEMBL1384218 0.78 HPGD (0.47) MAPK1SMN1; SMN2TP53KMT2AHPGD
SCHEMBL1378402 0.78 KMT2A (0.46) MAPK1SMN1; SMN2TP53KMT2AHPGD
SCHEMBL1381709 0.78 KMT2A (0.47) MAPK1SMN1; SMN2TP53KMT2AHPGD

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 MAPK1 340/4885SMN1; SMN2 2900/4885TP53 119/4885

“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.