SCHEMBL19689743

SCHEMBL19689743

CNc1ccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ PIK3CA P42336 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ MTOR P42345 2/20 0.35
▸ BTK Q06187 1/20 0.34
▸ CHRM4 P08173 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
SCHEMBL17618510 0.91 PIK3CA (0.41) GSK3BDYRK1APIK3CAABL1TRPV1
SCHEMBL17768057 0.90 SCD (0.40) SCDGSK3BDYRK1APIK3CAKCNH2
SCHEMBL17768254 0.89 GRM5 (0.37) GSK3BDYRK1APIK3CAPTPN11ABL1
SCHEMBL19361197 0.88 FAAH (0.43) TRPV1FAAHMEN1KMT2AGRM5
SCHEMBL17618581 0.88 EGFR (0.43) SCDGSK3BDYRK1APIK3CAKCNH2
SCHEMBL17618589 0.88 PIK3CA (0.41) SCDGSK3BDYRK1APIK3CAPTPN11
SCHEMBL17618682 0.87 GSK3B (0.39) GSK3BDYRK1APIK3CAMEN1KMT2A
SCHEMBL19699706 0.87 CNR2 (0.47) SCDGSK3BDYRK1ATRPV1FAAH
SCHEMBL19670680 0.86 FGFR4 (0.38) GSK3BDYRK1AABL1TRPV1FAAH
SCHEMBL16776521 0.86 CHRM4 (0.38) GSK3BDYRK1AABL1TRPV1FAAH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 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 (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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCD 1161/4885GSK3B 2322/4885DYRK1A 3048/4885

“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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