SCHEMBL16776500

SCHEMBL16776500

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cnn(C)c2)[C@@H]2CN3CCC2C)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.37
▸ USP30 Q70CQ3 1/20 0.35
▸ WNT3A P56704 3/20 0.34
▸ JAK2 O60674 6/20 0.34
▸ CD69 Q07108 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ MAP3K19 Q56UN5 1/20 0.34
▸ CDKL2 Q92772 1/20 0.34
▸ RIOK1 Q9BRS2 1/20 0.34
▸ RIOK2 Q9BVS4 1/20 0.34
▸ BMP2K Q9NSY1 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL17618695 0.90 BTK (0.39) BTKWNT3AJAK2JAK1TYK2
SCHEMBL16754281 0.86 JAK2 (0.39) BTKJAK2CD69JAK1TYK2
SCHEMBL19670512 0.81 BTK (0.37) BTKWNT3AJAK2CD69CYP3A4
SCHEMBL17778667 0.80 DYRK1A (0.39) TTKEGFR
SCHEMBL19706754 0.80 DYRK1A (0.39) TTKEGFR
SCHEMBL17778914 0.79 DYRK1A (0.43) —
SCHEMBL16754671 0.79 HRH3 (0.38) USP30WNT3APSEN1PSEN2APH1B
SCHEMBL17778671 0.79 EGFR (0.43) BTKJAK2CD69CYP3A4HRH2
SCHEMBL17768108 0.78 WNT3A (0.43) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL16754297 0.78 WNT3A (0.43) WNT3APSEN1PSEN2APH1BNCSTN

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 BTK 678/4885USP30 119/4885WNT3A 4291/4885

“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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