SCHEMBL17618358

SCHEMBL17618358

O=C(Nc1cncnc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ IDH2 P48735 4/20 0.40
▸ AKT1 P31749 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KIT P10721 3/20 0.38
▸ LCK P06239 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ NPY2R P49146 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 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
SCHEMBL17618371 0.95 IDH2 (0.42) RPS6KB1MAPTIDH2AKT1MEN1
SCHEMBL17618354 0.92 HTR2C (0.48) IDH2MEN1ALDH1A1KMT2AKIT
SCHEMBL17618783 0.91 MEN1 (0.47) MAPTIDH2MEN1ALDH1A1KMT2A
SCHEMBL17618355 0.91 LPL (0.39) RPS6KB1MAPTIDH2MEN1ALDH1A1
SCHEMBL19703431 0.91 LPL (0.39) RPS6KB1MAPTIDH2MEN1ALDH1A1
SCHEMBL19703434 0.91 LPL (0.39) RPS6KB1MAPTIDH2MEN1ALDH1A1
SCHEMBL17618902 0.91 CA2 (0.42) RPS6KB1MAPTIDH2MEN1ALDH1A1
SCHEMBL17618906 0.91 CA2 (0.42) RPS6KB1MAPTIDH2MEN1ALDH1A1
SCHEMBL17618348 0.91 IDH2 (0.45) MAPTIDH2MEN1ALDH1A1KMT2A
SCHEMBL17624647 0.90 IDH2 (0.38) RPS6KB1MAPTIDH2AKT1MEN1

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 RPS6KB1 1095/4885MAPT 303/4885IDH2 42/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RPS6KB1 1511/4885MAPT 267/4885IDH2 34/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RPS6KB1 1511/4885MAPT 267/4885IDH2 34/4885

“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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