SCHEMBL19706076

SCHEMBL19706076

FC(F)(F)c1ccc(-c2cccc(NCN3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 8/20 0.39
▸ KDM1A O60341 7/20 0.38
▸ MAOB P27338 6/20 0.38
▸ MAOA P21397 4/20 0.36
▸ RPS6KB1 P23443 4/20 0.36
▸ AKT1 P31749 2/20 0.36
▸ RPS6KA5 O75582 1/20 0.36
▸ RPS6KA4 O75676 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ RPS6KA1 Q15418 1/20 0.36
▸ RPS6KB2 Q9UBS0 1/20 0.36
▸ RPS6KA6 Q9UK32 1/20 0.36
▸ KIT P10721 1/20 0.34

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
SCHEMBL19706122 0.92 IDH2 (0.46) IDH2KDM1A
SCHEMBL20633241 0.87 RHOA (0.41) IDH2RPS6KB1AKT1
SCHEMBL17618786 0.83 FYN (0.42) IDH2KDM1AMAOBMAOAKIT
SCHEMBL20632424 0.76 KDM1A (0.46) IDH2KDM1ARPS6KB1AKT1
SCHEMBL17618783 0.75 MEN1 (0.47) IDH2KIT
SCHEMBL17618348 0.75 IDH2 (0.45) IDH2
SCHEMBL17618796 0.74 MEN1 (0.45) IDH2
SCHEMBL17618816 0.74 CYP1A2 (0.48) IDH2
SCHEMBL17618354 0.73 HTR2C (0.48) IDH2KIT
SCHEMBL17618820 0.73 MEN1 (0.43) IDH2

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885KDM1A 859/4885MAOB 985/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IDH2 34/4885KDM1A 859/4885MAOB 985/4885

“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.

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