SCHEMBL19670592

SCHEMBL19670592

C/N=C/c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cnn(C)c2)[C@H]2CCN3C2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 3/20 0.36
▸ LRRK2 Q5S007 3/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ IRAK1 P51617 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HDAC1 Q13547 4/20 0.31
▸ HDAC8 Q9BY41 4/20 0.31
▸ HDAC6 Q9UBN7 4/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL19670387 0.88 HTR2C (0.38) ALDH1A1MAPT
SCHEMBL19670255 0.88 CREBBP (0.36) HRH3CREBBPALDH1A1MAPT
SCHEMBL17618429 0.86 LRRK2 (0.40) CLK2LRRK2IRAK4JAK2MAPT
SCHEMBL19670171 0.86 PIM2 (0.32) CLK2HRH3ALDH1A1MAPTSMN1; SMN2
SCHEMBL19670173 0.86 NPC1 (0.32) JAK2HRH3CREBBPDYRK1A
SCHEMBL17618496 0.85 CLK2 (0.39) CLK2LRRK2IRAK4JAK2JAK1
SCHEMBL19706065 0.84 RPS6KA3 (0.38) JAK3HRH3KDM1AALDH1A1MAPT
SCHEMBL17618385 0.84 MAPT (0.41) CLK2LRRK2JAK2JAK1KDM1A
SCHEMBL19365385 0.84 CNR2 (0.35) ALDH1A1MAPTGSK3BDYRK1A
SCHEMBL17618486 0.84 LRRK2 (0.38) CLK2LRRK2IRAK4JAK2JAK1

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-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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CLK2 712/4885LRRK2 533/4885IRAK4 2599/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CLK2 712/4885LRRK2 533/4885IRAK4 2599/4885

“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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