SCHEMBL17618716

SCHEMBL17618716

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ PIM2 Q9P1W9 3/20 0.36
▸ HCRTR1 O43613 3/20 0.36
▸ HCRTR2 O43614 3/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ PIM1 P11309 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MAP3K12 Q12852 1/20 0.34
▸ PDE10A Q9Y233 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
SCHEMBL16754331 0.95 FAAH (0.35) KMT2AATMGSK3BDYRK1AHCRTR1
SCHEMBL17778903 0.95 FAAH (0.35) KMT2AATMGSK3BDYRK1AHCRTR1
SCHEMBL17618714 0.91 PRMT5 (0.40) DGAT2GSK3BDYRK1APIM2HCRTR1
SCHEMBL17618654 0.90 ROCK2 (0.39) KMT2ADGAT2GSK3BDYRK1APIM2
SCHEMBL17618642 0.90 DGAT2 (0.36) KMT2ADGAT2GSK3BDYRK1APIM2
SCHEMBL16776273 0.90 FAAH (0.36) KMT2AGSK3BDYRK1AHCRTR1HCRTR2
SCHEMBL17618730 0.89 LRRK2 (0.36) DGAT2GSK3BDYRK1APIM2HCRTR1
SCHEMBL17618671 0.89 PIM3 (0.45) GSK3BDYRK1APIM2PIM3LRRK2
SCHEMBL17618609 0.89 PIK3C3 (0.41) DGAT2GSK3BDYRK1APIM2PIM3
SCHEMBL16754411 0.89 GRM5 (0.42) KMT2AATMGSK3BDYRK1APIM2

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 KMT2A 1287/4885ATM 529/4885DGAT2 1022/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885ATM 702/4885DGAT2 1047/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMT2A 1438/4885ATM 702/4885DGAT2 1047/4885

“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