SCHEMBL17624646

SCHEMBL17624646

O=C(Nc1ccnc(Br)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.40
▸ KMO O15229 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ IDH2 P48735 3/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ SCN10A Q9Y5Y9 2/20 0.37

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
SCHEMBL17618393 0.91 KMT2A (0.46) CA2CA9MEN1KMT2ALMNA
SCHEMBL17618783 0.90 MEN1 (0.47) MEN1KMT2ALMNAKDM4EUSP2
SCHEMBL19670120 0.90 SCN10A (0.43) CA2CA9MEN1KMT2ALMNA
SCHEMBL17618902 0.90 CA2 (0.42) CA2CA9MEN1KMT2ALMNA
SCHEMBL17618906 0.90 CA2 (0.42) CA2CA9MEN1KMT2ALMNA
SCHEMBL17624497 0.88 KMT2A (0.44) CA2CA9MEN1KMT2ALMNA
SCHEMBL17618816 0.88 CYP1A2 (0.48) CA2CA9MEN1KMT2ALMNA
SCHEMBL19669060 0.88 CA9 (0.40) CA9MEN1KMT2AKDM4EUSP2
SCHEMBL17618348 0.88 IDH2 (0.45) CA2CA9MEN1KMT2ALMNA
SCHEMBL17618786 0.87 FYN (0.42) CA2CA9MEN1KMT2ALMNA

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 CA2 4636/4885CA9 4430/4885MEN1 3505/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885MEN1 3676/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885MEN1 3676/4885

“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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