SCHEMBL4757933

SCHEMBL4757933

CN1CCN(c2ccc(N/C=C3/C(=O)Nc4cc(C(=O)c5cccc(NC(=O)c6ccccc6)c5)ccc43)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
NTRK1 P04629 5/20 0.52
NTRK3 Q16288 1/20 0.52
NTRK2 Q16620 3/20 0.49
FLT3 P36888 3/20 0.49
CSF1R P07333 1/20 0.48
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ESR2 Q92731 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KDR P35968 2/20 0.44
AURKA O14965 1/20 0.44
BTK Q06187 1/20 0.43
MAPK14 Q16539 2/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL4757936 1.00 NPC1 (0.52) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL4758964 0.95 NTRK1 (0.54) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL4706345 0.95 NTRK1 (0.54) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL4757095 0.94 NTRK1 (0.50) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL4757094 0.94 NTRK1 (0.50) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL4758866 0.94 NTRK1 (0.49) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL4758867 0.94 NTRK1 (0.49) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL4703036 0.94 CSF1R (0.56) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL4759327 0.94 CSF1R (0.56) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL4759598 0.93 RAB9A (0.54) NPC1RAB9ANTRK1NTRK3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed

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-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 NPC1 4204/4885RAB9A 2799/4885NTRK1 413/4885

“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.