SCHEMBL19689749

SCHEMBL19689749

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(OCC4COC(C)(C)O4)ncn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.34
▸ WNT3A P56704 5/20 0.34
▸ MTOR P42345 1/20 0.31
▸ CCNK O75909 1/20 0.31
▸ CDK12 Q9NYV4 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ NTRK1 P04629 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ HTR7 P34969 1/20 0.30

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
SCHEMBL17767935 1.00 MAPK14 (0.34) MAPK14WNT3AMTORCCNKCDK12
SCHEMBL17767934 1.00 MAPK14 (0.34) MAPK14WNT3AMTORCCNKCDK12
SCHEMBL19689748 1.00 MAPK14 (0.34) MAPK14WNT3AMTORCCNKCDK12
SCHEMBL17778758 0.92 KIF18A (0.36) MAPK14WNT3ACCNKCDK12JAK2
SCHEMBL17768171 0.92 KIF18A (0.36) MAPK14WNT3ACCNKCDK12JAK2
SCHEMBL17768173 0.92 KIF18A (0.36) MAPK14WNT3ACCNKCDK12JAK2
SCHEMBL19689739 0.91 HRH3 (0.34) MAPK14WNT3ACCNKCDK12JAK2
SCHEMBL17778743 0.91 MAPK14 (0.36) MAPK14WNT3AMTORCCNKCDK12
SCHEMBL19706589 0.91 HRH3 (0.34) MAPK14WNT3ACCNKCDK12JAK2
SCHEMBL17768114 0.91 MAPK14 (0.36) MAPK14WNT3AMTORCCNKCDK12

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 MAPK14 1292/4885WNT3A 4482/4885MTOR 395/4885

“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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