SCHEMBL2019795

SCHEMBL2019795

CN(C)c1ccc(-c2cn(-c3ccc(I)cc3)nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.53
FLT3 P36888 2/20 0.49
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA5A P35218 3/20 0.48
CA5B Q9Y2D0 3/20 0.48
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP10 P09238 1/20 0.47
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
MAPK14 Q16539 2/20 0.47
PTGS2 P35354 8/20 0.47
PTGS1 P23219 5/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46

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
SCHEMBL12573171 0.87 FLT3 (0.66) APPFLT3CA1CA2CA5A
SCHEMBL18737325 0.83 FLT3 (0.69) FLT3CA1CA2CA5ACA5B
SCHEMBL2053754 0.80 CA2 (0.61) FLT3CA1CA2CA5ACA5B
SCHEMBL2018835 0.79 OGT (0.52) FLT3CA1CA2CA5ACA5B
SCHEMBL14048163 0.78 MIF (0.53) APPFLT3CA1CA2CA5A
SCHEMBL12573359 0.78 PTGS2 (0.46) FLT3CA1CA2CA5ACA5B
SCHEMBL2025936 0.77 APP (0.51) APPCA1CA2CA5ACA5B
SCHEMBL14048248 0.76 MIF (0.48) APPFLT3CA1CA2CA5A
SCHEMBL2025357 0.76 APP (0.45) APPCA1CA2CA5ACA5B
SCHEMBL12573174 0.75 MAPT (0.40) MMP2MMP9MMP3MMP7MMP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERISTY OF PENNSYLVANIA (US) 2011-06-30 US disclosed
US-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERISTY OF PENNSYLVANIA (US) 2011-06-30 US disclosed
US-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERISTY OF PENNSYLVANIA (US) 2011-06-30 US disclosed
WO-2008131148-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-30 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-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES APP, APBA1, BACE2 APP 1/4885FLT3 2894/4885CA1 2948/4885

“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.