SCHEMBL17624647

SCHEMBL17624647

O=C(Nc1cncc(Br)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 4/20 0.38
▸ RPS6KB1 P23443 4/20 0.38
▸ AKT1 P31749 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL17618355 0.91 LPL (0.39) IDH2RPS6KB1MEN1KMT2AALDH1A1
SCHEMBL19703431 0.91 LPL (0.39) IDH2RPS6KB1MEN1KMT2AALDH1A1
SCHEMBL19703434 0.91 LPL (0.39) IDH2RPS6KB1MEN1KMT2AALDH1A1
SCHEMBL17618358 0.90 RPS6KB1 (0.40) IDH2RPS6KB1AKT1MEN1KMT2A
SCHEMBL17618354 0.89 HTR2C (0.48) IDH2MEN1KMT2AALDH1A1TRPV1
SCHEMBL17618783 0.89 MEN1 (0.47) IDH2HSD17B10MEN1KMT2AALDH1A1
SCHEMBL19669061 0.88 LIMK2 (0.36) MEN1KMT2ACA9MAPTHTR2A
SCHEMBL17618902 0.88 CA2 (0.42) IDH2RPS6KB1HSD17B10MEN1KMT2A
SCHEMBL17618906 0.88 CA2 (0.42) IDH2RPS6KB1HSD17B10MEN1KMT2A
SCHEMBL17618348 0.88 IDH2 (0.45) IDH2MEN1KMT2AALDH1A1CA2

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 5 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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 42/4885RPS6KB1 1095/4885AKT1 3501/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885RPS6KB1 1511/4885AKT1 3564/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IDH2 34/4885RPS6KB1 1511/4885AKT1 3564/4885

“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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