SCHEMBL17618826

SCHEMBL17618826

O=C(Nc1cnccn1)N1c2nc(-c3cccc(Cl)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GRM5 P41594 5/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ FAAH O00519 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KARS1 Q15046 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ FYN P06241 1/20 0.34

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
SCHEMBL16249977 0.90 CNR2 (0.51) KMT2AGRM5CNR2SIRT2FAAH
SCHEMBL17618832 0.88 MPL (0.41) GRM5CNR2FAAHKMOTSHR
SCHEMBL17618802 0.88 ALOX15 (0.44) SIRT2FAAHKMOTSHRFYN
SCHEMBL17618830 0.87 TSHR (0.46) POLBCNR2MAPTTSHR
SCHEMBL17618829 0.86 FAAH (0.40) CNR2SIRT2FAAHKMO
SCHEMBL17618833 0.85 RHOA (0.38) GRM5CNR2BRAF
SCHEMBL17618424 0.85 GRM5 (0.44) POLBKMT2AMEN1GRM5CNR2
SCHEMBL17618744 0.85 GRM5 (0.47) POLBKMT2AMEN1GRM5CNR2
SCHEMBL17618824 0.83 MAPT (0.40) KMT2AMEN1GRM5CNR2MAPT
SCHEMBL17618825 0.83 ABL1 (0.35) KMT2AMEN1CNR2FAAHMAPT

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 POLB 798/4885KMT2A 1287/4885MEN1 3505/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 POLB 961/4885KMT2A 1438/4885MEN1 3676/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 POLB 961/4885KMT2A 1438/4885MEN1 3676/4885

“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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