SCHEMBL17624400

SCHEMBL17624400

O=C(Nc1cccc(-c2ccoc2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ IDH2 P48735 6/20 0.35
▸ KARS1 Q15046 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ EPHB4 P54760 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
SCHEMBL17624529 0.88 KIT (0.39) IDH2
SCHEMBL16238528 0.87 IDH2 (0.37) CA2CA9IDH2KMT2AMEN1
SCHEMBL17624650 0.86 AURKA (0.36) IDH2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL17618769 0.86 RHOA (0.40) IDH2KMT2AMEN1ALDH1A1BRAF
SCHEMBL16249961 0.86 IRAK4 (0.37) CA2CA9IDH2KARS1KMT2A
SCHEMBL17624566 0.85 KIF18A (0.41) IDH2KMT2AMEN1ALDH1A1BRAF
SCHEMBL17624518 0.85 KMT2A (0.36) IDH2KMT2AMEN1ALDH1A1LMNA
SCHEMBL16238412 0.85 PHGDH (0.41) CA2CA9IDH2KARS1KMT2A
SCHEMBL17618905 0.85 PHGDH (0.41) CA2CA9IDH2KARS1KMT2A
SCHEMBL17618409 0.84 LRRK2 (0.40) CA2CA9IDH2KMT2AMEN1

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 CA2 4636/4885CA9 4430/4885IDH2 42/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885IDH2 34/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885IDH2 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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