SCHEMBL17618818

SCHEMBL17618818

O=C(Nc1ccncn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.43
▸ FYN P06241 2/20 0.38
▸ KMO O15229 2/20 0.38
▸ SCN9A Q15858 5/20 0.37
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ FAAH O00519 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ CPT1B Q92523 1/20 0.35
▸ AR P10275 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KIT P10721 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17618842 0.91 ABL1 (0.35) MPLSCN9AFAAHAR
SCHEMBL16238388 0.90 PHGDH (0.40) FYNKMOSCN9ACA2CA9
SCHEMBL20632458 0.90 PHGDH (0.40) FYNKMOSCN9ACA2CA9
SCHEMBL19361167 0.90 PHGDH (0.40) FYNKMOSCN9ACA2CA9
SCHEMBL16238547 0.90 PHGDH (0.40) FYNKMOSCN9ACA2CA9
SCHEMBL17618802 0.89 ALOX15 (0.44) FYNKMOSCN9ACA2CA9
SCHEMBL19699045 0.89 CA2 (0.41) FYNKMOCA2CA9KDM1A
SCHEMBL19669042 0.89 CA2 (0.41) FYNKMOCA2CA9KDM1A
SCHEMBL17618832 0.88 MPL (0.41) MPLKMOFAAHALDH1A1
Trifluoroacetic Acid SCHEMBL16237584 0.88 KMO (0.38) FYNKMOSCN9ACA2CA9

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 9 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-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-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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MPL 3356/4885FYN 3025/4885KMO 866/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MPL 3547/4885FYN 2694/4885KMO 768/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MPL 3547/4885FYN 2694/4885KMO 768/4885

“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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