SCHEMBL17624566

SCHEMBL17624566

O=C(Nc1cccc(C2=CCOCC2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 1/20 0.41
▸ CNR2 P34972 3/20 0.35
▸ IDH2 P48735 5/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ AR P10275 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ RAF1 P04049 2/20 0.33
▸ BRAF P15056 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ EPHB4 P54760 1/20 0.33

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
SCHEMBL17624400 0.85 CA2 (0.36) IDH2USP30MEN1ALDH1A1KMT2A
SCHEMBL17624529 0.85 KIT (0.39) IDH2
SCHEMBL16249961 0.85 IRAK4 (0.37) KIF18ACNR2IDH2CNR1MEN1
SCHEMBL16238528 0.84 IDH2 (0.37) IDH2USP30MEN1ALDH1A1KMT2A
SCHEMBL17624650 0.84 AURKA (0.36) IDH2ARMEN1ALDH1A1KMT2A
SCHEMBL17618769 0.83 RHOA (0.40) CNR2IDH2USP30MEN1ALDH1A1
SCHEMBL17624518 0.83 KMT2A (0.36) IDH2USP30MEN1ALDH1A1KMT2A
SCHEMBL17618905 0.83 PHGDH (0.41) IDH2MEN1ALDH1A1KMT2AKDM1A
SCHEMBL16238412 0.83 PHGDH (0.41) IDH2MEN1ALDH1A1KMT2AKDM1A
Trifluoroacetic Acid SCHEMBL16238266 0.82 IRAK4 (0.36) KIF18AIDH2MEN1ALDH1A1KMT2A

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 7 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-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-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 KIF18A 2692/4885CNR2 3123/4885IDH2 42/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KIF18A 2813/4885CNR2 2514/4885IDH2 34/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KIF18A 2813/4885CNR2 2514/4885IDH2 34/4885

“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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