SCHEMBL19706083

SCHEMBL19706083

O=C(Nc1ccncn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2C2C[C@@H](O)C21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.44
▸ KDM1A O60341 7/20 0.41
▸ FYN P06241 2/20 0.39
▸ KMO O15229 2/20 0.39
▸ MAOB P27338 5/20 0.38
▸ MAOA P21397 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ CPT2 P23786 1/20 0.36
▸ CPT1A P50416 1/20 0.36
▸ CPT1B Q92523 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB4 Q15303 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
SCHEMBL19365860 0.91 CHRNA7 (0.36) MPLKDM1AFYNMAOBMAOA
SCHEMBL19670657 0.87 MPL (0.42) MPLKDM1AKMOMAOBALDH1A1
SCHEMBL19365324 0.86 MPL (0.44) MPLKDM1AFYNKMOMAOB
SCHEMBL19706287 0.84 HTR2A (0.43) KDM1AFYNMAOBMAOAFAAH
SCHEMBL19670548 0.83 TRPM8 (0.38) KDM1AMAOBMAOAJAK2EGFR
SCHEMBL19670658 0.81 KDM1A (0.38) KDM1AFYNKMOMAOBMAOA
SCHEMBL17618818 0.81 MPL (0.43) MPLKDM1AFYNKMOMAOB
SCHEMBL19670562 0.80 ALOX15 (0.39) KDM1APIM1FAAH
SCHEMBL19365405 0.79 GABRA1 (0.39) KDM1AJAK2FAAH
SCHEMBL19706268 0.79 RHOA (0.46) KDM1AFYNMAOBMAOACA2

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-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

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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