SCHEMBL1849574

SCHEMBL1849574

Fc1cccc(Cl)c1-n1cc(-c2cccnc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
BCHE P06276 1/20 0.45
TEK Q02763 5/20 0.44
KDR P35968 5/20 0.44
EPHB4 P54760 2/20 0.44
FLT3 P36888 2/20 0.43
GSK3B P49841 2/20 0.43
MAPK14 Q16539 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
DPP4 P27487 1/20 0.40
MAP3K20 Q9NYL2 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NAMPT P43490 1/20 0.39
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1850947 0.75 FLT3 (0.75) MIFTEKKDRFLT3GSK3B
SCHEMBL1847540 0.74 FLT3 (0.43) MIFSMN1; SMN2BCHETEKKDR
SCHEMBL1849056 0.74 MIF (0.74) MIFFLT3GSK3BMAPK14CA12
SCHEMBL1850929 0.74 MIF (0.61) MIFKDRFLT3GSK3BCA12
SCHEMBL2394519 0.73 MIF (0.73) MIFTEKKDRFLT3GSK3B
SCHEMBL1847328 0.71 MIF (0.61) MIFTEKKDRFLT3GSK3B
SCHEMBL1848007 0.71 MIF (0.65) MIFTEKKDRFLT3GSK3B
SCHEMBL15883329 0.71 MIF (0.61) MIFFLT3GSK3BCA12CA1
SCHEMBL4032989 0.69 MIF (0.52) MIFDPP4NPC1RAB9A
SCHEMBL4033982 0.69 MIF (0.52) MIFBCHETEKKDRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212999-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-09-01 US claimed
CN-102131797-A Triazole derivatives and their use as nicotinic acetylcholine receptor modulators NEUROSEARCH AS 2011-07-20 CN claimed
EP-2324007-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch A/S (DK) 2011-05-25 EP claimed
WO-2010026134-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-03-11 WO claimed
EP-2324007-B1 TRIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2012-08-15 EP disclosed
US-20110212999-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-09-01 US disclosed
CN-102131797-A Triazole derivatives and their use as nicotinic acetylcholine receptor modulators NEUROSEARCH AS 2011-07-20 CN 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-20110212999-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 MIF 2769/4885SMN1; SMN2 762/4885BCHE 83/4885

“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.