SCHEMBL17618577

SCHEMBL17618577

O=C(Nc1ccccn1)N1c2nc(-c3ccc(Cl)c(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ BTK Q06187 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL17618565 0.94 MALT1 (0.43) CNR2BTKGSK3BDYRK1AGRM5
SCHEMBL16238427 0.90 CNR2 (0.51) RAB9AKMT2ACNR2GRM5SMN1; SMN2
SCHEMBL17618561 0.90 CNR2 (0.41) RAB9AMEN1KMT2ACNR2GRM5
SCHEMBL19361197 0.89 FAAH (0.43) RAB9AMEN1KMT2ANPC1GRM5
SCHEMBL17618678 0.89 KMO (0.36) RAB9AMEN1KMT2AGSK3BDYRK1A
SCHEMBL16238109 0.88 CNR2 (0.39) RAB9AMEN1KMT2ANPC1CNR2
SCHEMBL17618539 0.87 CNR2 (0.39) MEN1KMT2ACNR2GSK3BDYRK1A
SCHEMBL17618388 0.87 VCP (0.43) RAB9AMEN1KMT2ANPC1CNR2
SCHEMBL17618509 0.87 WNT3A (0.41) MEN1KMT2AGSK3BDYRK1AGRM5
SCHEMBL16775782 0.87 GRM5 (0.39) RAB9ACNR2GSK3BDYRK1AGRM5

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 RAB9A 1244/4885MEN1 3505/4885KMT2A 1287/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAB9A 1471/4885MEN1 3676/4885KMT2A 1438/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RAB9A 1471/4885MEN1 3676/4885KMT2A 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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