SCHEMBL17618595

SCHEMBL17618595

O=C(Nc1cnccn1)N1c2nc(-c3cc(Cl)cc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.36
▸ FAAH O00519 3/20 0.36
▸ POLB P06746 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ KARS1 Q15046 1/20 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 0.93 MAPT (0.36) KMT2AFAAHPOLBKDM4EMEN1
SCHEMBL17618424 0.92 GRM5 (0.44) KMT2AFAAHPOLBKDM4EMEN1
SCHEMBL17618678 0.90 KMO (0.36) KMT2AFAAHPOLBKDM4EMEN1
SCHEMBL17618621 0.90 FAAH (0.39) KMT2AFAAHKDM4EGRM5KARS1
SCHEMBL16754503 0.90 FAAH (0.36) KMT2AFAAHKDM4EMEN1RAB9A
SCHEMBL19361182 0.89 FAAH (0.38) KMT2AFAAHKDM4EMALT1KARS1
SCHEMBL17618561 0.89 CNR2 (0.41) KMT2AFAAHMEN1RAB9AHRH3
SCHEMBL17618642 0.88 DGAT2 (0.36) KMT2AFAAHMAPTGRM5IRAK4
SCHEMBL17618748 0.88 MAPT (0.37) KMT2AFAAHPOLBKDM4EMEN1
SCHEMBL19669051 0.87 MAPT (0.38) FAAHPOLBMAPTALOX15TSHR

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 1287/4885FAAH 1092/4885POLB 798/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885FAAH 977/4885POLB 961/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMT2A 1438/4885FAAH 977/4885POLB 961/4885

“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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