SCHEMBL4491773

SCHEMBL4491773

Fc1ccc(NCCc2c(Cl)ncnc2Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
MAP4K4 O95819 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CRHR1 P34998 2/20 0.35
TDO2 P48775 2/20 0.34
HTR7 P34969 1/20 0.34
RAB9A P51151 1/20 0.33
GALR3 O60755 1/20 0.33
FFAR2 O15552 1/20 0.33
KIT P10721 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CYP3A4 P08684 1/20 0.32
GRM5 P41594 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3937913 0.79 IDH1 (0.44) IDH1MEN1KMT2A
SCHEMBL20157086 0.72 HCAR3 (0.56) IDH1MKNK1MKNK2TDO2KIT
SCHEMBL20156855 0.72 FERMT2 (0.44) IDH1MAP4K4MKNK1MKNK2TDO2
SCHEMBL30721187 0.68 HCAR3 (0.53) IDH1MKNK1MKNK2FFAR2KIT
SCHEMBL4748840 0.68 HCAR3 (0.53) IDH1MKNK1MKNK2FFAR2KIT
SCHEMBL24661308 0.68 TDO2 (0.41) IDH1MKNK1MKNK2CRHR1TDO2
SCHEMBL10055036 0.66 GPR55 (0.60) RAB9AGPR55
Hydrochloric Acid SCHEMBL3718104 0.66 ADRA2A (0.53) IDH1MKNK1MKNK2FFAR2KIT
Hydrochloric Acid SCHEMBL3938816 0.66 ADRA2A (0.53) IDH1MKNK1MKNK2FFAR2KIT
SCHEMBL4495992 0.65 NPC1 (0.36) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222261-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2012-07-17 US disclosed
US-20090318477-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-12-24 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-20090318477-A1 CHEMICAL COMPOUNDS GPR119, GOT2, SLC5A2 IDH1 804/4885MAP4K4 817/4885MKNK1 1352/4885

“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.