SCHEMBL17624399

SCHEMBL17624399

CN(C)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@@H]2CCCN32)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CDK5R1 Q15078 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ FAAH O00519 3/20 0.35
▸ ATR Q13535 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ BCR P11274 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ FYN P06241 2/20 0.33
▸ KARS1 Q15046 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
SCHEMBL19670598 1.00 GSK3B (0.36) GSK3BDYRK1ACDK5CDK5R1SMN1; SMN2
SCHEMBL17618545 0.86 CNR1 (0.36) GSK3BDYRK1ASMN1; SMN2GRM5SIRT2
SCHEMBL17618629 0.86 CNR1 (0.36) GSK3BDYRK1ASMN1; SMN2GRM5SIRT2
SCHEMBL16754469 0.84 SMN1; SMN2 (0.39) GSK3BDYRK1ASMN1; SMN2SIRT2FAAH
SCHEMBL17624235 0.84 FAAH (0.40) SMN1; SMN2FAAHHDAC8CNR1FYN
SCHEMBL19670448 0.84 FAAH (0.40) SMN1; SMN2FAAHHDAC8CNR1FYN
SCHEMBL19365767 0.81 SIRT2 (0.36) GSK3BDYRK1ASMN1; SMN2GRM5SIRT2
SCHEMBL16785510 0.81 BRAF (0.41) GSK3BDYRK1ASMN1; SMN2HTR2CCNR1
SCHEMBL17624674 0.81 BRAF (0.41) GSK3BDYRK1ASMN1; SMN2HTR2CCNR1
SCHEMBL19670235 0.79 GSK3B (0.36) GSK3BDYRK1ASIRT2FAAHABL1

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-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

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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2465/4885DYRK1A 2415/4885CDK5 497/4885

“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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