SCHEMBL17618760

SCHEMBL17618760

O=C(Nc1ccncn1)N1c2nc(-c3cncc(Cl)c3)ccc2N2CCC1CC2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 6/20 0.35
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ IRAK1 P51617 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ HCRTR2 O43614 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PIM1 P11309 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
SCHEMBL17618526 0.95 FAAH (0.35) FAAHIRAK4IRAK1MAPTGSK3B
SCHEMBL16776289 0.90 FAAH (0.35) FAAHGSK3BCHRM4HCRTR2ATR
SCHEMBL16776288 0.90 CHRM4 (0.39) FAAHGSK3BCHRM4ABL1
SCHEMBL17618739 0.90 GRM5 (0.42) FAAHGRM5CHRNB2CHRNB4CHRNA3
SCHEMBL20632172 0.90 ROCK2 (0.33) FAAHIRAK4IRAK1MAPTGSK3B
SCHEMBL17618761 0.90 CNR2 (0.40) FAAHIRAK4MAPTGSK3BGRM5
SCHEMBL17618748 0.89 MAPT (0.37) FAAHMAPTGSK3BGRM5ABL1
SCHEMBL17618750 0.86 FAAH (0.39) FAAHIRAK4GSK3BABL1HCRTR2
SCHEMBL17618539 0.85 CNR2 (0.39) FAAHIRAK4MAPTGSK3BGRM5
SCHEMBL17618430 0.85 MPL (0.41) FAAHGRM5CHRNB2CHRNB4CHRNA3

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 FAAH 1092/4885IRAK4 3208/4885IRAK1 2511/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885IRAK4 2599/4885IRAK1 1890/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885IRAK4 2599/4885IRAK1 1890/4885

“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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