SCHEMBL20550423

SCHEMBL20550423

CN(C)c1ccc(-c2ncc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 1/20 0.38
▸ GRM5 P41594 3/20 0.36
▸ FAAH O00519 1/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ SCD O00767 2/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ PIK3CA P42336 3/20 0.34
▸ MTOR P42345 3/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL17778459 0.90 GSK3B (0.38) GRM5FAAHDYRK1AGSK3BTRPV1
SCHEMBL17769524 0.89 GRM5 (0.36) GRM5FAAHDYRK1AGSK3BMEN1
SCHEMBL17618589 0.89 PIK3CA (0.41) GRM5FAAHDYRK1ASCDPTPN11
SCHEMBL17769695 0.83 WNT3A (0.38) GRM5FAAHDYRK1AGSK3BTRPV1
SCHEMBL17778461 0.83 WNT3A (0.38) GRM5FAAHDYRK1AGSK3BTRPV1
SCHEMBL16754659 0.81 GSK3B (0.35) GRM5FAAHDYRK1APTPN11PIK3CA
SCHEMBL16754479 0.80 ABL1 (0.35) GRM5FAAHDYRK1ASCDPTPN11
SCHEMBL17778498 0.80 PHGDH (0.41) FAAHTRPV1MEN1KMT2AHPGD
SCHEMBL17769756 0.80 TRPV1 (0.39) GRM5FAAHPTPN11TRPV1MEN1
SCHEMBL19361186 0.79 MTOR (0.41) FAAHDYRK1ASCDPIK3CAMTOR

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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 — — 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 BMP1 4258/4885GRM5 3991/4885FAAH 1283/4885

“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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