SCHEMBL19689814

SCHEMBL19689814

Cc1cc(-c2nc3c(cc2Cl)N2CC[C@@H](C2)N3C(=O)Nc2ccnc(OC[C@@H](O)CO)c2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 7/20 0.37
▸ MALT1 Q9UDY8 2/20 0.33
▸ WNT3A P56704 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ NPY2R P49146 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
SCHEMBL17768099 1.00 RAF1 (0.37) RAF1MALT1WNT3ASCN10AACACB
SCHEMBL19689721 1.00 RAF1 (0.37) RAF1MALT1WNT3ASCN10AACACB
SCHEMBL19706764 1.00 RAF1 (0.37) RAF1MALT1WNT3ASCN10AACACB
SCHEMBL17778776 0.90 RAF1 (0.34) RAF1WNT3AGRM2
SCHEMBL17768087 0.90 RAF1 (0.34) RAF1WNT3AGRM2
SCHEMBL17768020 0.90 RAF1 (0.34) RAF1WNT3AGRM2
SCHEMBL17768084 0.90 RAF1 (0.34) RAF1WNT3AGRM2
SCHEMBL19689828 0.90 RAF1 (0.36) RAF1CCNCCDK8NPY2R
SCHEMBL19689829 0.90 RAF1 (0.36) RAF1CCNCCDK8NPY2R
SCHEMBL19689737 0.89 RAF1 (0.34) RAF1WNT3A

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
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 RAF1 2078/4885MALT1 4272/4885WNT3A 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.

Send feedback