SCHEMBL14768744

SCHEMBL14768744

CC(C)(C)NCCN1CCNC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 11/20 0.37
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
VCP P55072 1/20 0.35
CACNA1H O95180 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CD274 Q9NZQ7 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
SCHEMBL8497506 0.81 CARM1 (0.44) SMN1; SMN2THRBTOP2ATOP2BVCP
SCHEMBL12348825 0.80 SMN1; SMN2 (0.41) SMN1; SMN2THRBTOP2ATOP2BALDH1A1
SCHEMBL21843818 0.77 TOP2A (0.41) SMN1; SMN2THRBTOP2ATOP2BVCP
SCHEMBL12403782 0.77 HSD17B10 (0.48) SMN1; SMN2CACNA1HALDH1A1POLB
SCHEMBL13600600 0.77 THRB (0.39) SMN1; SMN2THRBTOP2ATOP2B
SCHEMBL18850988 0.76 SMN1; SMN2 (0.43) SMN1; SMN2THRBRAB9A
SCHEMBL13238482 0.76 DRD2 (0.47) THRBCACNA1HALDH1A1
SCHEMBL257071 0.75 THRB (0.45) SMN1; SMN2THRBTOP2ATOP2BALDH1A1
SCHEMBL4480059 0.75 SMN1; SMN2 (0.39) SMN1; SMN2THRBTOP2ATOP2BVCP
SCHEMBL4480055 0.75 SMN1; SMN2 (0.39) SMN1; SMN2THRBTOP2ATOP2BVCP

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-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives Centro Nacional de Investigaceiones Oncologicas (CNIO) (ES) 2013-03-14 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-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives PIM1, PIM3, PIM2 SMN1; SMN2 4123/4885THRB 401/4885TOP2A 3954/4885

“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.