SCHEMBL16776357

SCHEMBL16776357

C[C@@H]1CNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N(C(=O)Nc2cc(-c3cnco3)ccn2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.40
▸ GSK3B P49841 9/20 0.39
▸ DYRK1A Q13627 9/20 0.39
▸ WNT1 P04628 8/20 0.39
▸ RHOA P61586 1/20 0.39
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ SLC5A1 P13866 4/20 0.36
▸ KARS1 Q15046 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ KMO O15229 1/20 0.35

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
SCHEMBL16776361 0.91 BRAF (0.44) BRAFGSK3BRHOACA2CA9
SCHEMBL16776298 0.87 RHOA (0.39) BRAFGSK3BDYRK1AWNT1RHOA
SCHEMBL19670427 0.85 DYRK1A (0.39) BRAFGSK3BDYRK1AWNT1RHOA
SCHEMBL16776365 0.83 MPL (0.43) BRAFCA2CA9GRIN1GRIN2B
SCHEMBL16776347 0.81 ALOX15 (0.38) BRAFGSK3BDYRK1AGRIN1GRIN2B
SCHEMBL20632880 0.81 DYRK1A (0.39) BRAFGSK3BDYRK1AWNT1RHOA
SCHEMBL16776360 0.81 HTR2C (0.46) BRAF
SCHEMBL16776380 0.80 BRAF (0.46) BRAFRHOA
SCHEMBL16776366 0.80 PHGDH (0.40) CA2CA9SLC5A1KMO
SCHEMBL19865030 0.79 DYRK1A (0.40) BRAFGSK3BDYRK1AWNT1RHOA

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 BRAF 3419/4885GSK3B 1728/4885DYRK1A 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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