SCHEMBL17618476

SCHEMBL17618476

COc1nccc(NC(=O)N2c3nc(-c4cccc(OC(F)(F)F)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ NEK2 P51955 1/20 0.38
▸ SLC5A1 P13866 4/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ DYRK1A Q13627 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ SCN9A Q15858 2/20 0.36

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
SCHEMBL17618382 0.90 CA2 (0.39) HPGDSNEK2CCNA2CDK2CCNA1
SCHEMBL17618392 0.89 NTRK1 (0.39) PDE4APDE4BPDE4DHPGDSNEK2
SCHEMBL19706206 0.88 CA9 (0.37) NEK2DYRK1ACDK2KDM4EHSD17B10
SCHEMBL19669044 0.87 GSK3B (0.42) ABL1PDE4APDE4BPDE4DSLC5A1
SCHEMBL17618470 0.87 ABL1 (0.42) ABL1PDE4APDE4BPDE4DHPGDS
SCHEMBL17618471 0.87 MPL (0.45) ABL1PDE4APDE4BPDE4DGSK3B
SCHEMBL17618450 0.87 PDE4A (0.43) ABL1PDE4APDE4BPDE4DSLC5A1
SCHEMBL17618381 0.87 CCNE1 (0.37) PDE4APDE4BPDE4DNEK2GSK3B
SCHEMBL17618447 0.87 KIT (0.41) ABL1PDE4APDE4BPDE4DHPGDS
SCHEMBL17618494 0.87 HPGDS (0.39) ABL1PDE4APDE4BPDE4DHPGDS

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 ABL1 3987/4885PDE4A 2862/4885PDE4B 2704/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885PDE4A 2267/4885PDE4B 1927/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885PDE4A 2267/4885PDE4B 1927/4885

“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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