SCHEMBL19699708

SCHEMBL19699708

O=C(Nc1cccc(OCCO)n1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 9/20 0.38
▸ RAF1 P04049 3/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ ARAF P10398 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ DDR2 Q16832 1/20 0.35
▸ IDH2 P48735 1/20 0.34
▸ RPS6KB1 P23443 5/20 0.34
▸ AKT1 P31749 4/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PIK3CA P42336 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
SCHEMBL19699707 0.92 KIF18A (0.39) KIF18AIDH2RPS6KB1AKT1FFAR4
SCHEMBL19689668 0.90 GPR52 (0.41) KIF18ARAF1IDH2RPS6KB1AKT1
SCHEMBL17768071 0.87 GPR52 (0.40) KIF18AIDH2RPS6KB1AKT1FFAR4
SCHEMBL19706665 0.87 GPR52 (0.40) KIF18AIDH2RPS6KB1AKT1FFAR4
SCHEMBL17618458 0.86 TRPV1 (0.41) IDH2RPS6KB1AKT1CYP2C19PIK3CA
SCHEMBL17618449 0.84 HPGDS (0.38) RPS6KB1AKT1CYP2C19PIK3CA
SCHEMBL19689750 0.83 CA2 (0.38) KIF18ARAF1BRAFIDH2RPS6KB1
SCHEMBL17778750 0.83 NR3C2 (0.38) RAF1IDH2RPS6KB1AKT1CYP2C19
SCHEMBL17768065 0.83 NR3C2 (0.38) RAF1IDH2RPS6KB1AKT1CYP2C19
SCHEMBL17768032 0.82 KIF18A (0.40) KIF18ARPS6KB1AKT1FFAR4

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KIF18A 3170/4885RAF1 2078/4885PDGFRB 2544/4885

“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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