SCHEMBL19706045

SCHEMBL19706045

NCc1ncc(-c2cccc(NC(O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 11/20 0.35
▸ IDH1 O75874 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ SMG1 Q96Q15 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ MAP3K7 O43318 1/20 0.31
▸ TAB1 Q15750 1/20 0.31
▸ RPS6KA5 O75582 1/20 0.31
▸ RPS6KA4 O75676 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ RPS6KA3 P51812 1/20 0.31
▸ RPS6KA2 Q15349 1/20 0.31
▸ RPS6KA1 Q15418 1/20 0.31
▸ RPS6KB2 Q9UBS0 1/20 0.31
▸ RPS6KA6 Q9UK32 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31

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
SCHEMBL19670175 0.91 IDH2 (0.33) IDH2IDH1MTORSMG1KDM1A
SCHEMBL16237553 0.85 FYN (0.37) IDH2
SCHEMBL17618335 0.82 TRPV1 (0.39) IDH2
SCHEMBL19365673 0.81 RHOA (0.39) IDH2CNR2KDM1AMAOAMAOB
SCHEMBL19706053 0.81 IDH2 (0.39) IDH2CNR2KDM1ASPHK2SPHK1
SCHEMBL19364920 0.79 IDH2 (0.40) IDH2KDM1AMAOAMAOB
SCHEMBL19706975 0.79 IDH2 (0.36) IDH2KDM1AMAOAMAOB
SCHEMBL19706095 0.78 CHRM3 (0.41) IDH2CNR2
SCHEMBL19365242 0.78 MAPK14 (0.37) IDH2IDH1MTORSMG1CNR2
SCHEMBL19706685 0.78 IDH2 (0.41) IDH2CNR2KDM1AMAOAMAOB

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 34/4885IDH1 313/4885MTOR 433/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IDH2 34/4885IDH1 313/4885MTOR 433/4885

“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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