SCHEMBL17618355

SCHEMBL17618355

O=C(Nc1cncc(F)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.39
▸ LIPC P11150 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ IDH2 P48735 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ MAOA P21397 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
SCHEMBL19703434 1.00 LPL (0.39) LPLLIPCLIPGMEN1KMT2A
SCHEMBL19703431 1.00 LPL (0.39) LPLLIPCLIPGMEN1KMT2A
SCHEMBL19865028 0.95 IDH2 (0.40) LPLLIPCLIPGMEN1KMT2A
SCHEMBL17618378 0.95 IDH2 (0.40) LPLLIPCLIPGMEN1KMT2A
SCHEMBL16249970 0.95 IDH2 (0.40) LPLLIPCLIPGMEN1KMT2A
SCHEMBL17618702 0.95 MEN1 (0.39) LPLLIPCLIPGMEN1KMT2A
SCHEMBL17624647 0.91 IDH2 (0.38) MEN1KMT2AMAPTLMNAHTT
SCHEMBL17618358 0.91 RPS6KB1 (0.40) MEN1KMT2AMAPTIDH2ALDH1A1
SCHEMBL17618354 0.90 HTR2C (0.48) MEN1KMT2AIDH2ALDH1A1TRPV1
SCHEMBL17618783 0.89 MEN1 (0.47) MEN1KMT2AMAPTLMNAHTT

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 LPL 2701/4885LIPC 1313/4885LIPG 355/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LPL 2745/4885LIPC 1190/4885LIPG 447/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 LPL 2745/4885LIPC 1190/4885LIPG 447/4885

“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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