SCHEMBL19365786

SCHEMBL19365786

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1cc(-c2cnco2)ccn1)C1CC[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ DYRK1A Q13627 11/20 0.36
▸ GSK3B P49841 9/20 0.36
▸ WNT1 P04628 8/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ SLC9A1 P19634 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ CLK2 P49760 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ CLK3 P49761 1/20 0.33

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
SCHEMBL19365833 0.90 RHOA (0.43) RHOABRAFSLC9A1PIK3CDPIK3CA
SCHEMBL19365541 0.89 RHOA (0.35) RHOABRAFKMOSLC9A1PIK3CD
SCHEMBL19365671 0.89 BRAF (0.38) RHOABRAFDYRK1AGSK3BWNT1
SCHEMBL19670563 0.86 ALOX15 (0.44) DYRK1AGSK3BCA2CA9KMO
SCHEMBL19365619 0.83 KMO (0.37) RHOABRAFDYRK1AGSK3BWNT1
SCHEMBL19365769 0.83 MPL (0.43) BRAFCA2CA9KMOMAPK14
SCHEMBL19365506 0.81 UBE2M (0.41) BRAFMAPK14
SCHEMBL19365643 0.81 KMO (0.36) CA2CA9KMOPIK3CDPIK3CA
SCHEMBL19670424 0.81 MAPK14 (0.37) RHOABRAFDYRK1AGSK3BWNT1
SCHEMBL19365806 0.80 RHOA (0.42) RHOABRAFDYRK1AGSK3BCA2

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 RHOA 4798/4885BRAF 3419/4885DYRK1A 2623/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885BRAF 3419/4885DYRK1A 2623/4885

“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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