SCHEMBL19706159

SCHEMBL19706159

CC(C)(O)OC(=O)NCC#Cc1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)cc(-c2cnco2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.36
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ NPY2R P49146 1/20 0.31
▸ CCR3 P51677 1/20 0.31
▸ RAF1 P04049 3/20 0.31
▸ BRAF P15056 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ LCK P06239 2/20 0.30
▸ KDR P35968 2/20 0.30
▸ TEK Q02763 2/20 0.30
▸ UCHL1 P09936 1/20 0.30
▸ CLK2 P49760 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
SCHEMBL16785596 0.96 RHOA (0.37) RHOACA2CA9DYRK1AGSK3B
SCHEMBL17624671 0.93 RHOA (0.38) RHOACA2CA9DYRK1AGSK3B
SCHEMBL16775800 0.91 RHOA (0.38) RHOACA2CA9DYRK1AGSK3B
SCHEMBL16249994 0.90 RHOA (0.40) RHOACA2CA9DYRK1AGSK3B
SCHEMBL16238473 0.90 RHOA (0.38) RHOACA2CA9DYRK1AGSK3B
SCHEMBL17618881 0.87 RHOA (0.40) RHOACA2CA9CCR3LCK
SCHEMBL16238714 0.86 RHOA (0.43) RHOACA2CA9DYRK1AGSK3B
SCHEMBL17618874 0.85 RAF1 (0.35) RHOANPY2RRAF1BRAF
SCHEMBL17624672 0.84 RHOA (0.35) RHOADYRK1AGSK3BCCR3KDR
SCHEMBL19365614 0.84 RHOA (0.35) RHOACA2CA9DYRK1AGSK3B

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-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

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 4798/4885CA2 4253/4885CA9 4248/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885CA2 4253/4885CA9 4248/4885

“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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