SCHEMBL19365392

SCHEMBL19365392

O=C(Nc1cccc(Br)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1CC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 6/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RPS6KB1 P23443 2/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ USP30 Q70CQ3 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
SCHEMBL16238528 0.95 IDH2 (0.37) IDH2NPY2RMEN1ALDH1A1KMT2A
SCHEMBL16775953 0.88 TRPV1 (0.44) IDH2NPY2RMEN1ALDH1A1KMT2A
SCHEMBL16238615 0.87 FAAH (0.41) IDH2NPY2RMEN1ALDH1A1KMT2A
SCHEMBL19699081 0.86 IDH2 (0.46) IDH2NPY2RMEN1ALDH1A1KMT2A
SCHEMBL19669055 0.85 KMO (0.41) IDH2NPY2RMEN1ALDH1A1KMT2A
SCHEMBL16776205 0.85 TSHR (0.46) IDH2NPY2RMEN1ALDH1A1KMT2A
SCHEMBL16775973 0.85 MPL (0.44) IDH2NPY2RMEN1ALDH1A1KMT2A
SCHEMBL16776220 0.84 PHGDH (0.48) MEN1KMT2AKMO
SCHEMBL16249976 0.84 RHOA (0.39) IDH2NPY2RMEN1ALDH1A1KMT2A
SCHEMBL19865040 0.84 IRAK4 (0.38) IDH2NPY2RMEN1ALDH1A1KMT2A

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 42/4885NPY2R 2272/4885MEN1 3505/4885

“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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