SCHEMBL16776298

SCHEMBL16776298

O=C(Nc1cc(-c2cnco2)ccn1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KARS1 Q15046 2/20 0.37
▸ KMO O15229 1/20 0.37
▸ BRAF P15056 2/20 0.36
▸ GSK3B P49841 11/20 0.36
▸ DYRK1A Q13627 11/20 0.36
▸ WNT1 P04628 10/20 0.36
▸ MTOR P42345 1/20 0.35
▸ SMG1 Q96Q15 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL16775875 0.91 RHOA (0.46) RHOACA2CA9BRAF
SCHEMBL16776297 0.88 RHOA (0.37) RHOACA2CA9KARS1KMO
SCHEMBL16776411 0.88 DYRK1A (0.38) BRAFGSK3BDYRK1AWNT1
SCHEMBL16776357 0.87 BRAF (0.40) RHOACA2CA9KARS1KMO
SCHEMBL16776424 0.86 DYRK1A (0.40) BRAFGSK3BDYRK1AWNT1
SCHEMBL20632880 0.86 DYRK1A (0.39) RHOACA2CA9KMOBRAF
SCHEMBL16775818 0.86 ALOX15 (0.46) CA2CA9KARS1KMOBRAF
SCHEMBL16775892 0.84 FGFR4 (0.42) CA2CA9KARS1KMO
SCHEMBL16775833 0.84 ALOX15 (0.46) CA2CA9KARS1KMOBRAF
SCHEMBL16776437 0.84 RHOA (0.43) RHOACA2CA9BRAF

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 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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