SCHEMBL19706172

SCHEMBL19706172

OC(Nc1cncnc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 9/20 0.40
▸ MAPT P10636 1/20 0.36
▸ RPS6KB1 P23443 3/20 0.35
▸ AKT1 P31749 2/20 0.35
▸ BTK Q06187 1/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ PIM1 P11309 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
SCHEMBL19706053 0.87 IDH2 (0.39) IDH2MAPTBTKKDM4EKDM1A
SCHEMBL19670200 0.83 FAAH (0.36) IDH2RPS6KB1BTKKDM4EHPGD
SCHEMBL19670542 0.82 RHOA (0.39) IDH2
SCHEMBL17618371 0.82 IDH2 (0.42) IDH2MAPTRPS6KB1AKT1KDM4E
SCHEMBL19365673 0.82 RHOA (0.39) IDH2RPS6KB1AKT1KDM1AMAOA
SCHEMBL19706685 0.81 IDH2 (0.41) IDH2LMNAKDM1AMAOAMAOB
SCHEMBL19670568 0.79 IDH2 (0.38) IDH2MAPTRPS6KB1AKT1BTK
SCHEMBL19364920 0.79 IDH2 (0.40) IDH2KDM1AMAOAMAOBPIM1
SCHEMBL19706975 0.79 IDH2 (0.36) IDH2KDM1AMAOAMAOB
SCHEMBL19706914 0.78 IDH2 (0.38) IDH2RPS6KB1AKT1UCHL1TSHR

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 34/4885MAPT 267/4885RPS6KB1 1511/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IDH2 34/4885MAPT 267/4885RPS6KB1 1511/4885

“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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