SCHEMBL17769401

SCHEMBL17769401

O=C(Nc1cc(OC[C@H](O)CO)ccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPT2 P23786 1/20 0.37
▸ CPT1A P50416 1/20 0.37
▸ CPT1B Q92523 1/20 0.37
▸ KDR P35968 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PHGDH O43175 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ BTK Q06187 2/20 0.33
▸ KCNJ6 P48051 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
SCHEMBL17769487 1.00 CPT2 (0.37) CPT2CPT1ACPT1BKDRKDM4E
SCHEMBL17769483 1.00 CPT2 (0.37) CPT2CPT1ACPT1BKDRKDM4E
SCHEMBL20550416 0.96 CPT2 (0.36) CPT2CPT1ACPT1BKDRKDM4E
SCHEMBL20550417 0.96 CPT2 (0.36) CPT2CPT1ACPT1BKDRKDM4E
SCHEMBL17769754 0.96 CPT2 (0.36) CPT2CPT1ACPT1BKDRKDM4E
SCHEMBL20550521 0.92 CPT2 (0.36) CPT2CPT1ACPT1BKDRKDM4E
SCHEMBL17778375 0.92 CPT2 (0.36) CPT2CPT1ACPT1BKDRKDM4E
SCHEMBL17778507 0.92 CPT2 (0.36) CPT2CPT1ACPT1BKDRKDM4E
SCHEMBL20550367 0.91 KDM4E (0.34) CPT2CPT1ACPT1BKDM4EUSP2
SCHEMBL17769783 0.91 KDM4E (0.34) CPT2CPT1ACPT1BKDM4EUSP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 — — US disclosed
EP-3220918-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CPT2 84/4885CPT1A 164/4885CPT1B 79/4885

“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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