SCHEMBL17618764

SCHEMBL17618764

O=C(Nc1cccc(-n2cncn2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ RECQL P46063 1/20 0.37
▸ IDH2 P48735 3/20 0.37
▸ KIT P10721 2/20 0.37
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ TRPV1 Q8NER1 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
SCHEMBL17618762 0.93 CA2 (0.40) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL17618783 0.89 MEN1 (0.47) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL17618348 0.86 IDH2 (0.45) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL17618796 0.85 MEN1 (0.45) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL17618358 0.85 RPS6KB1 (0.40) MAPTKMT2AALDH1A1MEN1IDH2
SCHEMBL19669064 0.85 ABL1 (0.40) MAPTALDH1A1HPGDTRPV1
SCHEMBL17618902 0.85 CA2 (0.42) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL17618906 0.85 CA2 (0.42) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL16238555 0.84 NOTUM (0.46) MAPTKMT2AALDH1A1MEN1
SCHEMBL17618786 0.84 FYN (0.42) SMN1; SMN2MAPTKMT2AALDH1A1MEN1

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 SMN1; SMN2 2211/4885MAPT 303/4885KMT2A 1287/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2122/4885MAPT 267/4885KMT2A 1438/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SMN1; SMN2 2122/4885MAPT 267/4885KMT2A 1438/4885

“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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