SCHEMBL2018835

SCHEMBL2018835

CNc1ccc(-c2cn(-c3ccc(I)cc3)nn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OGT O15294 3/20 0.52
FLT3 P36888 2/20 0.49
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA5A P35218 5/20 0.48
CA5B Q9Y2D0 5/20 0.48
PTGS2 P35354 11/20 0.47
PTGS1 P23219 5/20 0.47
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
GSK3B P49841 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 1/20 0.42
SNCA P37840 1/20 0.42

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
SCHEMBL12573356 0.87 FLT3 (0.66) OGTFLT3CA1CA2CA5A
SCHEMBL27881785 0.85 OGT (0.65) OGTFLT3CA1CA2CA5A
SCHEMBL18737325 0.83 FLT3 (0.69) OGTFLT3CA1CA2CA5A
SCHEMBL2053754 0.80 CA2 (0.61) OGTFLT3CA1CA2CA5A
SCHEMBL2019795 0.79 APP (0.53) OGTFLT3CA1CA2CA5A
SCHEMBL13453289 0.74 FLT3 (0.81) OGTFLT3CA1CA2CA5A
SCHEMBL2020551 0.73 APP (0.55) OGTCA1CA2CA5ACA5B
SCHEMBL16408119 0.73 APP (0.41) OGTGSK3B
SCHEMBL28236667 0.73 NOTUM (0.41) OGTFLT3PTGS2PTGS1
SCHEMBL29199654 0.72 FLT3 (0.72) OGTFLT3PTGS2PTGS1GSK3B

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-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

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 OGT 1596/4885FLT3 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.