SCHEMBL17778903

SCHEMBL17778903

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)C2CCN3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ATM Q13315 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 1.00 FAAH (0.35) FAAHKDM4ENPC1RAB9AGAA
SCHEMBL17618716 0.95 KMT2A (0.37) FAAHHCRTR1HCRTR2GSK3BDYRK1A
SCHEMBL16776273 0.95 FAAH (0.36) FAAHKDM4ENPC1RAB9AGAA
SCHEMBL17618562 0.91 PRMT5 (0.39) FAAHGSK3BDYRK1AKMT2A
SCHEMBL17618624 0.90 GSK3B (0.39) FAAHGSK3BDYRK1A
SCHEMBL17618551 0.90 MAPT (0.36) FAAHKDM4ERAB9AGSK3BPIM1
SCHEMBL16754503 0.90 FAAH (0.36) FAAHKDM4ERAB9AGSK3BDYRK1A
SCHEMBL16754291 0.89 KDM4E (0.35) FAAHKDM4ENPC1RAB9AGSK3B
SCHEMBL17618518 0.89 PIK3CA (0.39) FAAHKDM4EGSK3BDYRK1A
SCHEMBL16754501 0.89 FAAH (0.36) FAAHKDM4ENPC1RAB9AGSK3B

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 3 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
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885KDM4E 950/4885NPC1 3380/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885KDM4E 950/4885NPC1 3380/4885

“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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