SCHEMBL19365324

SCHEMBL19365324

O=C(Nc1ccncn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2C2CCCC21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.44
▸ KDM1A O60341 6/20 0.39
▸ FYN P06241 1/20 0.39
▸ KMO O15229 2/20 0.39
▸ CPT2 P23786 1/20 0.39
▸ CPT1A P50416 1/20 0.39
▸ CPT1B Q92523 1/20 0.39
▸ MAOB P27338 4/20 0.37
▸ MAOA P21397 3/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CA2 P00918 1/20 0.36

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
SCHEMBL19365318 0.88 ALOX15 (0.46) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365711 0.88 KDM1A (0.42) KDM1AKMOCPT2CPT1ACPT1B
SCHEMBL19365345 0.87 KDM1A (0.39) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19706083 0.86 MPL (0.44) MPLKDM1AFYNKMOCPT2
SCHEMBL19365470 0.86 KDM1A (0.40) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365332 0.85 KDR (0.40) KDM1AMAOBMAOAMAPT
SCHEMBL19365260 0.85 KMO (0.39) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365474 0.85 MAPT (0.42) KDM1AFYNKMOMAOBMAOA
SCHEMBL19365475 0.84 KDM1A (0.39) KDM1AKMOMAOBMAOAJAK2

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 MPL 3547/4885KDM1A 859/4885FYN 2694/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MPL 3547/4885KDM1A 859/4885FYN 2694/4885

“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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