SCHEMBL19699054

SCHEMBL19699054

CC[C@H]1CCNc2ccc(-c3cccc(Cl)c3)nc2N1C(=O)Nc1ccncn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.39
▸ GRM5 P41594 5/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ FAAH O00519 6/20 0.37
▸ FYN P06241 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ STK4 Q13043 1/20 0.33
▸ STK3 Q13188 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ KMO O15229 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
SCHEMBL16785559 0.85 MPL (0.39) MPLGRM5CNR2FAAHKMO
SCHEMBL16776377 0.83 MPL (0.41) MPLGRM5CNR2FAAHSTK4
SCHEMBL19699055 0.80 CREBBP (0.42) FYN
SCHEMBL16775913 0.80 MPL (0.42) MPLGRM5CNR2FAAHKMO
SCHEMBL16775980 0.78 GRM5 (0.39) GRM5GSK3BLRRK2
SCHEMBL16775904 0.78 GRM5 (0.42) GRM5CNR2FAAHFYNKMO
SCHEMBL17618739 0.78 GRM5 (0.42) MPLGRM5CNR2FAAHSTK4
SCHEMBL16775908 0.77 FAAH (0.39) GRM5CNR2FAAHGSK3BSTK4
SCHEMBL19670357 0.77 MPL (0.41) MPLGRM5CNR2FAAH
SCHEMBL16776203 0.76 ABL1 (0.36) GRM5FAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (1 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 MPL 3547/4885GRM5 3471/4885CNR2 2514/4885

“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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