SCHEMBL19865030

SCHEMBL19865030

C[C@@H]1CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cc(-c2cnco2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 14/20 0.40
▸ GSK3B P49841 13/20 0.40
▸ WNT1 P04628 11/20 0.40
▸ RHOA P61586 1/20 0.39
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ CLK2 P49760 1/20 0.35
▸ 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
SCHEMBL19865057 0.89 RHOA (0.41) DYRK1AGSK3BWNT1RHOACA2
SCHEMBL19670328 0.88 DYRK1A (0.44) DYRK1AGSK3BWNT1
SCHEMBL19670431 0.88 WNT1 (0.40) DYRK1AGSK3BWNT1BRAF
SCHEMBL17624498 0.86 RHOA (0.40) DYRK1AGSK3BWNT1RHOACA2
SCHEMBL20632880 0.86 DYRK1A (0.39) DYRK1AGSK3BWNT1RHOACA2
SCHEMBL19670492 0.86 DYRK1A (0.42) DYRK1AGSK3BWNT1
SCHEMBL16238636 0.85 RHOA (0.40) DYRK1AGSK3BWNT1RHOACA2
SCHEMBL19670427 0.85 DYRK1A (0.39) DYRK1AGSK3BWNT1RHOACA2
SCHEMBL17624504 0.84 RHOA (0.43) DYRK1AGSK3BWNT1RHOACA2
SCHEMBL19670418 0.84 MPL (0.42) CA2CA9KMO

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2415/4885GSK3B 2465/4885WNT1 3382/4885

“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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