SCHEMBL17618396

SCHEMBL17618396

O=C(Nc1ccnc(OC[C@H](O)CO)c1)N1c2nc(-c3cccc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.38
▸ CNR1 P21554 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ MAPK3 P27361 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL17618402 0.92 WNT3A (0.35) RAF1PDE4APDE4BPDE4CPDE4D
SCHEMBL16754555 0.90 RAF1 (0.39) RAF1MAPK1MAPTL3MBTL1CCNA2
SCHEMBL16754556 0.90 RAF1 (0.39) RAF1MAPK1MAPTL3MBTL1CCNA2
SCHEMBL17777128 0.90 RAF1 (0.39) RAF1MAPK1MAPTL3MBTL1CCNA2
SCHEMBL16754554 0.90 RAF1 (0.39) RAF1MAPK1MAPTL3MBTL1CCNA2
SCHEMBL19689728 0.89 RAF1 (0.37) RAF1
SCHEMBL19706676 0.89 RAF1 (0.37) RAF1
SCHEMBL19689727 0.89 RAF1 (0.37) RAF1
SCHEMBL17618386 0.87 PDE4A (0.33) RAF1PDE4APDE4BPDE4CPDE4D
SCHEMBL16238670 0.87 GRM5 (0.34) RAF1PDE4APDE4BPDE4CPDE4D

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 RAF1 2459/4885CNR1 3355/4885MALT1 4571/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAF1 2875/4885CNR1 2946/4885MALT1 4474/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RAF1 2875/4885CNR1 2946/4885MALT1 4474/4885

“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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