SCHEMBL16776017

SCHEMBL16776017

Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@H](C)CCN3)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ DYRK1A Q13627 4/20 0.35
▸ KIT P10721 2/20 0.34
▸ ABL1 P00519 4/20 0.34
▸ RPS6KA2 Q15349 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ CLK2 P49760 3/20 0.34
▸ CLK3 P49761 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 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
SCHEMBL16776207 0.95 GSK3B (0.37) GSK3BMAPTDYRK1AKITABL1
SCHEMBL16776054 0.90 PRMT5 (0.35) GSK3BDYRK1AKITRPS6KA2RPS6KA3
SCHEMBL16776236 0.84 PRMT5 (0.38) GSK3BDYRK1ACLK2CLK3
SCHEMBL16775983 0.84 HDAC2 (0.39) GSK3BRPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL19365369 0.83 GSK3B (0.38) GSK3BMAPTDYRK1AABL1KCNH2
SCHEMBL16776023 0.83 GSK3B (0.36) GSK3BMAPTDYRK1AABL1KCNH2
SCHEMBL16776404 0.82 BRD4 (0.36) GSK3BDYRK1ARPS6KA2RPS6KA3CLK2
SCHEMBL16776014 0.81 GRM5 (0.40) GSK3BDYRK1AABL1KCNH2HRH3
SCHEMBL16776261 0.81 ABL1 (0.37) GSK3BDYRK1AABL1CLK2CLK3
SCHEMBL16776145 0.81 TRPV3 (0.35) DYRK1ACLK2CLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GSK3B 1728/4885MAPT 267/4885DYRK1A 2623/4885

“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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