SCHEMBL16776424

SCHEMBL16776424

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnco4)ccn2)CCCN3)ccn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.40
▸ WNT1 P04628 15/20 0.40
▸ GSK3B P49841 15/20 0.40
▸ BRAF P15056 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ MAPK1 P28482 2/20 0.35

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
SCHEMBL16776210 0.91 BRAF (0.42) BRAF
SCHEMBL16776016 0.87 WNT3A (0.40) ABL1MAPK1
SCHEMBL16776298 0.86 RHOA (0.39) DYRK1AWNT1GSK3BBRAF
SCHEMBL16776411 0.86 DYRK1A (0.38) DYRK1AWNT1GSK3BBRAF
SCHEMBL16776013 0.84 FGFR4 (0.44) MAPK1
SCHEMBL19365697 0.83 DYRK1A (0.40) DYRK1AWNT1GSK3B
SCHEMBL16776024 0.82 IMPDH2 (0.46) BRAF
SCHEMBL16776229 0.81 CYP11B2 (0.37) ABL1MAPK1
SCHEMBL16776226 0.81 HTR2C (0.45) ABL1
SCHEMBL16776227 0.80 FGFR4 (0.37) ABL1MAPK1

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 DYRK1A 2623/4885WNT1 3363/4885GSK3B 1728/4885

“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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