SCHEMBL19689739

SCHEMBL19689739

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccnc(OCC4COC(C)(C)O4)c2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.34
▸ WNT3A P56704 10/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ NTRK1 P04629 2/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ CCNK O75909 1/20 0.31
▸ CDK12 Q9NYV4 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
SCHEMBL19706589 1.00 HRH3 (0.34) HRH3WNT3AMAPK14USP30JAK2
SCHEMBL17768232 1.00 HRH3 (0.34) HRH3WNT3AMAPK14USP30JAK2
SCHEMBL19689749 0.91 MAPK14 (0.34) WNT3AMAPK14JAK2NTRK1HTR7
SCHEMBL19689748 0.91 MAPK14 (0.34) WNT3AMAPK14JAK2NTRK1HTR7
SCHEMBL17767935 0.91 MAPK14 (0.34) WNT3AMAPK14JAK2NTRK1HTR7
SCHEMBL17767934 0.91 MAPK14 (0.34) WNT3AMAPK14JAK2NTRK1HTR7
SCHEMBL17768171 0.90 KIF18A (0.36) WNT3AMAPK14JAK2NTRK1CCNK
SCHEMBL17768173 0.90 KIF18A (0.36) WNT3AMAPK14JAK2NTRK1CCNK
SCHEMBL17778758 0.90 KIF18A (0.36) WNT3AMAPK14JAK2NTRK1CCNK
SCHEMBL17767947 0.89 WNT3A (0.34) HRH3WNT3AMAPK14USP30

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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 (1 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HRH3 3142/4885WNT3A 4482/4885MAPK14 1292/4885

“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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