SCHEMBL1381332

SCHEMBL1381332

O=C(NC1CCC1)c1ccc2c(c1)ncn2-c1ccc(OCCOc2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
ALDH1A1 P00352 2/20 0.66
TP53 P04637 8/20 0.65
HPGD P15428 3/20 0.56
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.54
THRB P10828 2/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FGFR1 P11362 2/20 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
SCHEMBL1378193 0.93 MAPT (0.58) MAPTALDH1A1TP53HPGDHTT
SCHEMBL1381220 0.86 MAPT (0.50) MAPTALDH1A1TP53HPGDNPC1
SCHEMBL1377661 0.86 RIPK1 (0.55) MAPTALDH1A1TP53HPGDNPC1
SCHEMBL4495231 0.85 FGFR1 (0.63) ALDH1A1HPGDNPSR1THRBLMNA
SCHEMBL1381759 0.85 KMT2A (0.55) MAPTALDH1A1TP53HPGDLMNA
SCHEMBL1380737 0.84 HPGD (0.62) MAPTALDH1A1TP53HPGDPOLB
SCHEMBL1381270 0.84 KMT2A (0.51) MAPTALDH1A1TP53HPGDNPC1
SCHEMBL1381806 0.84 KMT2A (0.56) MAPTALDH1A1TP53HPGDNPC1
SCHEMBL1379392 0.83 MAPT (0.46) MAPTALDH1A1TP53HPGDNPC1
SCHEMBL1380999 0.82 FGFR1 (0.63) MAPTALDH1A1HPGDMEN1KMT2A

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 MAPT 4641/4885ALDH1A1 430/4885TP53 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.