SCHEMBL10182802

SCHEMBL10182802

O=C1NC(=O)c2cc3[nH]c(-c4c(Cl)ccnc4O)nc3cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
RHEB Q15382 4/20 0.41
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
AMY1A P0DUB6 5/20 0.38
CBFB Q13951 1/20 0.36
KDR P35968 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
DGAT1 O75907 2/20 0.35
CHEK1 O14757 1/20 0.34
WEE1 P30291 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
LMNA P02545 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34

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
SCHEMBL469138 0.85 PDGFRB (0.40) NPC1RAB9AAMY1ACBFBKDR
SCHEMBL441275 0.82 RHEB (0.40) MEN1NPC1RAB9AKMT2ARHEB
SCHEMBL441639 0.80 RHEB (0.45) MEN1NPC1RAB9AKMT2ARHEB
SCHEMBL10181694 0.77 NTRK1 (0.39) MEN1NPC1RAB9AKMT2ARHEB
SCHEMBL441643 0.70 RHEB (0.40) MEN1NPC1RAB9AKMT2ARHEB
SCHEMBL463452 0.68 KDR (0.45) MEN1NPC1RAB9AKMT2ARHEB
SCHEMBL469140 0.68 NPC1 (0.51) NPC1RAB9AJAK2TYK2AMY1A
SCHEMBL438749 0.67 RHEB (0.37) MEN1NPC1RAB9AKMT2ARHEB
SCHEMBL450185 0.67 RHEB (0.37) MEN1NPC1RAB9AKMT2ARHEB
SCHEMBL438772 0.66 NTRK1 (0.45) MEN1NPC1RAB9AKMT2ARHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US 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-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 MEN1 3978/4885NPC1 2413/4885RAB9A 3099/4885

“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.