SCHEMBL17618852

SCHEMBL17618852

O=C(Nc1cncc(-c2cnco2)c1)N1c2nc(-c3cncc(F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ABL1 P00519 13/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ DYRK1A Q13627 3/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ RHOA P61586 1/20 0.33
▸ CLK2 P49760 2/20 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
SCHEMBL17618855 0.93 CCR3 (0.41) KDM4ENPC1ALDH1A1MAPK1RAB9A
SCHEMBL17618859 0.89 DYRK1A (0.40) ABL1DYRK1AGSK3BWNT1CLK2
SCHEMBL16249978 0.88 CREBBP (0.42) KDM4ENPC1ALDH1A1MAPK1RAB9A
SCHEMBL17618866 0.87 HTR1A (0.34) ABL1CCR3DYRK1AGSK3BWNT1
SCHEMBL17618870 0.86 DYRK1A (0.35) DYRK1AGSK3BWNT1CLK2
SCHEMBL16776287 0.85 ABL1 (0.38) ABL1DYRK1AGSK3BCLK2
SCHEMBL17618857 0.85 HDAC3 (0.37) NPC1RAB9ADYRK1AGSK3BWNT1
SCHEMBL19670659 0.84 DYRK1A (0.34) KDM4ENPC1ALDH1A1MAPK1RAB9A
SCHEMBL17624410 0.82 CREBBP (0.43) KDM4ENPC1ALDH1A1MAPK1RAB9A
SCHEMBL17618511 0.81 SCD (0.39) ABL1DYRK1AGSK3B

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 KDM4E 1109/4885NPC1 3776/4885ALDH1A1 1910/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 950/4885NPC1 3380/4885ALDH1A1 1726/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KDM4E 950/4885NPC1 3380/4885ALDH1A1 1726/4885

“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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