SCHEMBL17618790

SCHEMBL17618790

O=C(NCCc1ccncc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.41
▸ EPHB4 P54760 2/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ IDH2 P48735 2/20 0.36
▸ RPS6KB1 P23443 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ HIF1A Q16665 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
SCHEMBL17618785 0.95 CHRM4 (0.40) CHRM4EPHB4KMT2ATSHRELANE
SCHEMBL16238924 0.94 TP53 (0.42) CHRM4KMT2ATSHRCA12CA1
SCHEMBL17618781 0.92 KMT2A (0.47) CHRM4EPHB4KMT2ATSHRMEN1
SCHEMBL17618776 0.89 ASAH1 (0.40) CHRM4KMT2ATSHRCA12CA1
SCHEMBL17778734 0.89 KCNH2 (0.42) KMT2ATSHRMEN1ELANEIDH2
SCHEMBL17618777 0.88 ASAH1 (0.42) CHRM4KMT2ATSHRCA12CA1
SCHEMBL17768260 0.88 KMT2A (0.40) CHRM4KMT2ATSHRMEN1DGAT2
SCHEMBL17618791 0.88 LPL (0.45) CHRM4KDM4EKMO
SCHEMBL17618823 0.87 KMT2A (0.43) CHRM4EPHB4KMT2ATSHRMEN1
SCHEMBL19689730 0.87 ITGB2 (0.42) KMT2ATSHRMEN1IDH2RPS6KB1

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 9 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-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
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 CHRM4 4629/4885EPHB4 4850/4885KMT2A 1287/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHRM4 4421/4885EPHB4 4864/4885KMT2A 1438/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CHRM4 4421/4885EPHB4 4864/4885KMT2A 1438/4885

“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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