SCHEMBL17778776

SCHEMBL17778776

Cc1cc(-c2nc3c(cc2Cl)N2CCC(C2)N3C(=O)Nc2cc(OC[C@@H](O)CO)ncn2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.34
▸ MAPK1 P28482 8/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ GRM2 Q14416 1/20 0.31
▸ ABL1 P00519 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
SCHEMBL17768087 1.00 RAF1 (0.34) RAF1MAPK1WNT3AGRM2ABL1
SCHEMBL17768084 1.00 RAF1 (0.34) RAF1MAPK1WNT3AGRM2ABL1
SCHEMBL17768020 1.00 RAF1 (0.34) RAF1MAPK1WNT3AGRM2ABL1
SCHEMBL19689737 0.92 RAF1 (0.34) RAF1MAPK1WNT3A
SCHEMBL19689673 0.92 RAF1 (0.34) RAF1MAPK1WNT3A
SCHEMBL19689675 0.92 RAF1 (0.34) RAF1MAPK1WNT3A
SCHEMBL19706721 0.91 WNT3A (0.35) RAF1MAPK1WNT3AABL1
SCHEMBL19689776 0.91 WNT3A (0.35) RAF1MAPK1WNT3AABL1
SCHEMBL19689852 0.91 WNT3A (0.35) RAF1MAPK1WNT3AABL1
SCHEMBL17768187 0.91 WNT3A (0.35) RAF1MAPK1WNT3AABL1

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 2 patents. 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
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 RAF1 2078/4885MAPK1 1307/4885WNT3A 4482/4885

“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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