SCHEMBL17618678

SCHEMBL17618678

O=C(Nc1cnccn1)N1c2nc(-c3ccc(Cl)c(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.36
▸ GSK3B P49841 3/20 0.35
▸ DYRK1A Q13627 3/20 0.35
▸ FAAH O00519 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ABL1 P00519 3/20 0.35
▸ RPS6KB1 P23443 1/20 0.34
▸ KARS1 Q15046 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ PRKD1 Q15139 1/20 0.34
▸ MALT1 Q9UDY8 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
SCHEMBL17618595 0.90 KMT2A (0.36) FAAHKDM4ERAB9AMEN1KMT2A
SCHEMBL17618655 0.90 CCNC (0.39) MAPT
SCHEMBL17618424 0.90 GRM5 (0.44) FAAHKDM4ERAB9AMEN1KMT2A
SCHEMBL16776496 0.89 KDM4E (0.40) GSK3BDYRK1AFAAHKDM4ERAB9A
SCHEMBL17618551 0.89 MAPT (0.36) GSK3BFAAHKDM4ERAB9AMEN1
SCHEMBL17618577 0.89 RAB9A (0.40) KMOGSK3BDYRK1AFAAHRAB9A
SCHEMBL16754300 0.88 PRKD1 (0.39) GSK3BDYRK1AFAAHKARS1PRKD1
SCHEMBL17618518 0.88 PIK3CA (0.39) GSK3BDYRK1AFAAHKDM4EMAPT
SCHEMBL16754666 0.87 KARS1 (0.37) GSK3BDYRK1AFAAHKARS1PRKD1
SCHEMBL17778385 0.87 WNT3A (0.40) ABL1KARS1PRKD1

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 KMO 866/4885GSK3B 2465/4885DYRK1A 2415/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMO 768/4885GSK3B 1728/4885DYRK1A 2623/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMO 768/4885GSK3B 1728/4885DYRK1A 2623/4885

“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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