SCHEMBL19689802

SCHEMBL19689802

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.41
▸ IDH2 P48735 5/20 0.41
▸ RPS6KB1 P23443 3/20 0.41
▸ AKT1 P31749 2/20 0.41
▸ KMO O15229 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ JAK2 O60674 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ UCHL1 P09936 1/20 0.38
▸ PARP1 P09874 1/20 0.38

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
SCHEMBL19689772 0.88 CNR2 (0.43) KDM1AIDH2KMONOTUMCNR2
SCHEMBL19689787 0.87 KDM1A (0.43) KDM1AIDH2RPS6KB1KMONOTUM
SCHEMBL17778800 0.86 CSNK1E (0.41) KDM1AIDH2KMONOTUMCNR2
SCHEMBL16238287 0.86 IDH2 (0.40) KDM1AIDH2KMONOTUM
SCHEMBL16238289 0.86 IDH2 (0.40) KDM1AIDH2KMONOTUM
SCHEMBL17618783 0.86 MEN1 (0.47) IDH2MEN1ALDH1A1KMT2A
SCHEMBL17618807 0.85 PLG (0.44) IDH2RPS6KB1AKT1JAK2MEN1
SCHEMBL19699711 0.85 ALDH1A1 (0.44) KDM1AIDH2RPS6KB1MAOAMAOB
SCHEMBL17618383 0.85 CNR2 (0.41) KDM1AIDH2CNR2MEN1ALDH1A1
SCHEMBL19689810 0.85 ALDH1A1 (0.42) KDM1AIDH2RPS6KB1MAOAMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 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 (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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM1A 903/4885IDH2 34/4885RPS6KB1 1088/4885

“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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