SCHEMBL19706239

SCHEMBL19706239

C/N=C/c1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.34
▸ PIM3 Q86V86 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ MAP3K12 Q12852 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ FAAH O00519 1/20 0.31

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
SCHEMBL19365637 0.90 PIM2 (0.35) BTKPIM3PIM2GSK3BDYRK1A
SCHEMBL17618714 0.88 PRMT5 (0.40) BTKPIM3PIM2GSK3BDYRK1A
SCHEMBL19703416 0.88 CNR2 (0.35) BTKGSK3BDYRK1AFGFR4MAP3K12
SCHEMBL19365385 0.88 CNR2 (0.35) BTKGSK3BDYRK1AFGFR4MAP3K12
SCHEMBL17618633 0.87 GRM5 (0.39) BTKPIM3PIM2GSK3BDYRK1A
SCHEMBL17618686 0.87 GSK3B (0.37) BTKPIM3PIM2GSK3BDYRK1A
SCHEMBL17618661 0.86 PIM3 (0.44) BTKPIM3PIM2GRM5FAAH
SCHEMBL17618606 0.86 PIK3C3 (0.40) BTKPIM3PIM2GSK3BDYRK1A
SCHEMBL16238017 0.85 TRPV1 (0.39) PIM3PIM2DYRK1A
SCHEMBL16238662 0.85 TRPV1 (0.39) PIM3PIM2DYRK1A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 BTK 678/4885PIM3 3489/4885PIM2 3242/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 BTK 678/4885PIM3 3489/4885PIM2 3242/4885

“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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