SCHEMBL17618642

SCHEMBL17618642

O=C(Nc1cnccn1)N1c2nc(-c3cncc(Cl)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ PIM1 P11309 3/20 0.36
▸ PIM2 Q9P1W9 3/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPB Q9Y5S2 1/20 0.35
▸ FAAH O00519 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ ATR Q13535 2/20 0.33
▸ IRAK4 Q9NWZ3 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
SCHEMBL17618551 0.95 MAPT (0.36) KMT2AGRM5PIM1GSK3BMAPT
SCHEMBL17618633 0.91 GRM5 (0.39) DGAT2GRM5PIM1PIM2PIM3
SCHEMBL17618654 0.90 ROCK2 (0.39) DGAT2KMT2APIM1PIM2PIM3
SCHEMBL17618716 0.90 KMT2A (0.37) DGAT2KMT2APIM1PIM2PIM3
SCHEMBL17618748 0.90 MAPT (0.37) KMT2AGRM5PIM1GSK3BMAPT
SCHEMBL17618671 0.89 PIM3 (0.45) PIM1PIM2PIM3GSK3BROCK2
SCHEMBL17618595 0.88 KMT2A (0.36) KMT2AGRM5MAPTFAAHIRAK4
SCHEMBL17618669 0.88 POLB (0.40) PIM1PIM2PIM3MAPTDYRK1A
SCHEMBL17618628 0.88 CYP3A4 (0.37) DGAT2GRM5DYRK1A
SCHEMBL19706056 0.87 PIM2 (0.38) DGAT2PIM1PIM2PIM3MAPT

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 8 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-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 DGAT2 1022/4885KMT2A 1287/4885GRM5 4062/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DGAT2 1047/4885KMT2A 1438/4885GRM5 3471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 DGAT2 1047/4885KMT2A 1438/4885GRM5 3471/4885

“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.

Send feedback