SCHEMBL17618617

SCHEMBL17618617

CN(C)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ BTK Q06187 3/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CNR2 P34972 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ VCP P55072 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ TP53BP1 Q12888 2/20 0.34
▸ MAP3K12 Q12852 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL17618538 1.00 ABL1 (0.38) ABL1BCRBTKCNR1SMN1; SMN2
SCHEMBL19365532 1.00 ABL1 (0.38) ABL1BCRBTKCNR1SMN1; SMN2
SCHEMBL17618545 0.91 CNR1 (0.36) CNR1SMN1; SMN2GSK3BDYRK1AGRM5
SCHEMBL17618629 0.91 CNR1 (0.36) CNR1SMN1; SMN2GSK3BDYRK1AGRM5
SCHEMBL20633225 0.91 BTK (0.34) ABL1BCRBTKCNR1SMN1; SMN2
SCHEMBL19699057 0.90 BTK (0.39) BTKCNR2GSK3BDYRK1AGRM5
SCHEMBL19365286 0.89 CNR1 (0.36) ABL1CNR1SMN1; SMN2GRM5
SCHEMBL17618533 0.89 CNR1 (0.36) ABL1CNR1SMN1; SMN2GRM5
SCHEMBL17618620 0.89 CNR1 (0.36) ABL1CNR1SMN1; SMN2GRM5
SCHEMBL17618614 0.88 CNR2 (0.49) BTKCNR1CNR2GRM5KMT2A

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 ABL1 3987/4885BCR 3221/4885BTK 706/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885BCR 3239/4885BTK 678/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885BCR 3239/4885BTK 678/4885

“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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