SCHEMBL19706027

SCHEMBL19706027

CN1C[C@@H](O)CN(C(=O)Nc2cccc(-c3cnco3)n2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.37
▸ BRAF P15056 5/20 0.35
▸ KDM1A O60341 4/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ RAF1 P04049 4/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ KDR P35968 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CLK2 P49760 1/20 0.32

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
SCHEMBL19670427 0.89 DYRK1A (0.39) RHOABRAFRAF1KMOCLK2
SCHEMBL19670564 0.89 RHOA (0.46) RHOABRAFRAF1NTRK1GRIN2B
SCHEMBL19706028 0.87 RHOA (0.36) RHOABRAFKDM1APIM1FLT3
SCHEMBL19365373 0.83 KMO (0.39) KDM1AMAOAMAOBKMOGRIN1
SCHEMBL20631976 0.82 RHOA (0.37) RHOABRAFKDM1APIM1FLT3
SCHEMBL16249945 0.82 RHOA (0.37) RHOABRAFKDM1APIM1FLT3
SCHEMBL19670473 0.81 HTR2C (0.51) KDR
SCHEMBL17618769 0.80 RHOA (0.40) RHOABRAFKDM1AMAOAMAOB
SCHEMBL19670658 0.80 KDM1A (0.38) RHOABRAFKDM1APIM1FLT3
SCHEMBL16249976 0.80 RHOA (0.39) RHOABRAFKDM1ARAF1MAOA

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-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 (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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4798/4885BRAF 3419/4885KDM1A 859/4885

“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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