SCHEMBL17618870

SCHEMBL17618870

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cncc(-c4cnco4)c2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 11/20 0.35
▸ GSK3B P49841 8/20 0.35
▸ WNT1 P04628 7/20 0.35
▸ BRAF P15056 1/20 0.33
▸ CLK2 P49760 4/20 0.33
▸ CLK3 P49761 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GRM5 P41594 2/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32

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
SCHEMBL17618694 0.92 BRAF (0.41) DYRK1AGSK3BWNT1BRAFWNT3A
SCHEMBL17618869 0.90 DYRK1A (0.42) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17767959 0.90 DYRK1A (0.42) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17768105 0.90 GSK3B (0.36) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17778675 0.89 DYRK1A (0.36) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17770596 0.88 PRMT5 (0.38) GSK3BMAPTGRM5WNT3A
SCHEMBL16754293 0.88 PRMT5 (0.38) GSK3BMAPTGRM5WNT3A
SCHEMBL19689693 0.87 DYRK1A (0.34) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19699675 0.87 KIF18A (0.34) DYRK1AGSK3BCLK2CLK3MAPT
SCHEMBL17618852 0.86 KDM4E (0.35) DYRK1AGSK3BWNT1CLK2

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 DYRK1A 2415/4885GSK3B 2465/4885WNT1 3382/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2623/4885GSK3B 1728/4885WNT1 3363/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 DYRK1A 2623/4885GSK3B 1728/4885WNT1 3363/4885

“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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