SCHEMBL17618494

SCHEMBL17618494

COc1cncc(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
▸ HPGDS O60760 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NEK2 P51955 1/20 0.38
▸ ABL1 P00519 4/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ DYRK1A Q13627 2/20 0.37
▸ BRAF P15056 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ SLC5A1 P13866 4/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ BTK Q06187 1/20 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
SCHEMBL19670287 0.90 PHGDH (0.38) HPGDSKDM4EHPGDMAPK1HSD17B10
SCHEMBL17618447 0.88 KIT (0.41) HPGDSNEK2ABL1DYRK1AIRAK4
SCHEMBL17618470 0.87 ABL1 (0.42) HPGDSABL1DYRK1APDE4APDE4B
SCHEMBL17618435 0.87 GRM5 (0.36) MAPK1NEK2BRAF
SCHEMBL17618476 0.87 ABL1 (0.39) HPGDSKDM4EHPGDMAPK1HSD17B10
SCHEMBL17618601 0.87 POLQ (0.38) MAPK1NEK2ABL1DYRK1ABRAF
SCHEMBL19365522 0.85 KDM4E (0.39) HPGDSKDM4EHPGDMAPK1HSD17B10
SCHEMBL17618490 0.85 GPR6 (0.40) NEK2BRAF
SCHEMBL17618440 0.84 ABL1 (0.40) ABL1NOTUMSLC5A1IRAK4PDE4A
SCHEMBL17618471 0.84 MPL (0.45) ABL1DYRK1ANOTUMIRAK4PDE4A

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 HPGDS 1307/4885KDM4E 1109/4885HPGD 412/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HPGDS 1358/4885KDM4E 950/4885HPGD 302/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HPGDS 1358/4885KDM4E 950/4885HPGD 302/4885

“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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