SCHEMBL115693

SCHEMBL115693

Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
KDM1A O60341 1/20 0.53
KIF11 P52732 1/20 0.51
PGR P06401 1/20 0.50
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
IKBKB O14920 1/20 0.46
BRD4 O60885 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
XDH P47989 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
IDO1 P14902 1/20 0.44
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL12340270 0.84 TDP1 (0.58) MAOBMEN1KMT2ATDP1TSHR
SCHEMBL5843685 0.84 ALOX15 (0.59) MAOBMEN1KMT2ATSHRMAPK1
SCHEMBL29678302 0.83 TSHR (0.58) MAOBTSHRMAPK1KDM1AKIF11
SCHEMBL1263144 0.83 TSHR (0.58) MAOBTSHRMAPK1KDM1AKIF11
SCHEMBL3793159 0.82 MAOB (0.65) MAOBTDP1TSHRMAPK1KDM1A
SCHEMBL3903661 0.82 KIF11 (0.61) MAOBMEN1KMT2ATDP1KIF11
SCHEMBL26827704 0.81 MAOB (0.62) MAOBTSHRMAPK1KDM1AKIF11
Ammonia Solution, Strong SCHEMBL20472961 0.81 MAOB (0.56) MAOBTSHRMAPK1KDM1AKIF11
SCHEMBL3789224 0.80 TSHR (0.76) MAOBMEN1TSHRMAPK1KDM1A
SCHEMBL3583832 0.80 KDM4E (0.49) MAOBTSHRMAPK1KDM1AKIF11

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
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP MAOB 600/4885MEN1 2911/4885KMT2A 3367/4885

“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.