SCHEMBL16776301

SCHEMBL16776301

C=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cccc(C)c3)ccc2N2CCC1CC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.39
▸ DYRK1A Q13627 11/20 0.39
▸ WNT1 P04628 10/20 0.39
▸ KARS1 Q15046 2/20 0.37
▸ BRAF P15056 1/20 0.36
▸ IMPDH2 P12268 3/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ SMG1 Q96Q15 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ PRKCQ Q04759 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
SCHEMBL19699090 0.91 DYRK1A (0.42) GSK3BDYRK1AWNT1KARS1BRAF
SCHEMBL16776300 0.89 KARS1 (0.34) GSK3BDYRK1AWNT1KARS1BRAF
SCHEMBL20631481 0.86 GAA (0.38) DYRK1AKARS1
SCHEMBL20632784 0.84 KARS1 (0.38) GSK3BDYRK1AKARS1
SCHEMBL20631665 0.82 SLC9A1 (0.35) KARS1
SCHEMBL17618330 0.82 IMPDH2 (0.45) BRAFIMPDH2BRD4CREBBP
SCHEMBL19706100 0.80 DYRK1A (0.39) GSK3BDYRK1AWNT1BRAFBRD4
SCHEMBL17624498 0.80 RHOA (0.40) GSK3BDYRK1AWNT1KARS1BRAF
SCHEMBL16775780 0.80 IMPDH2 (0.37) GSK3BDYRK1AWNT1KARS1BRAF
SCHEMBL20632380 0.79 USP2 (0.36) BRD4CREBBP

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 1728/4885DYRK1A 2623/4885WNT1 3363/4885

“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.

Send feedback