SCHEMBL19365318

SCHEMBL19365318

O=C(Nc1cnccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2C2CCCC21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM1A O60341 8/20 0.39
▸ KMO O15229 1/20 0.39
▸ MAOB P27338 6/20 0.39
▸ MAOA P21397 4/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ DYRK3 O43781 2/20 0.37
▸ PRKD3 O94806 2/20 0.37
▸ MAP4K4 O95819 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ CLK2 P49760 2/20 0.37

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
SCHEMBL19365576 0.90 KDM1A (0.41) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365324 0.88 MPL (0.44) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365345 0.87 KDM1A (0.39) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365711 0.86 KDM1A (0.42) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365475 0.86 KDM1A (0.39) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365470 0.86 KDM1A (0.40) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365260 0.85 KMO (0.39) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365474 0.85 MAPT (0.42) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365597 0.85 KDM1A (0.41) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365767 0.85 SIRT2 (0.36) GSK3BDYRK1ASIRT2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 (2 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 ALOX15 3469/4885TSHR 3064/4885CASP1 434/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ALOX15 3469/4885TSHR 3064/4885CASP1 434/4885

“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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