SCHEMBL2878417

SCHEMBL2878417

CC(C)(C)OC(=O)NCCn1cnc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
BRD4 O60885 1/20 0.39
GFER P55789 1/20 0.39
DRD2 P14416 2/20 0.38

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
SCHEMBL28290767 0.81 L3MBTL1 (0.44) TAAR1L3MBTL1ALDH1A1PKM
SCHEMBL2878788 0.80 CA1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL584619 0.80 CA12 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL29990322 0.80 CA12 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL2878422 0.80 ALDH1A1 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL1568982 0.79 CPB2 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL1568120 0.77 STK17B (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL10264585 0.76 LMNA (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL20399777 0.74 BRD4 (0.41) ALDH1A1BRD4GFERDRD2
SCHEMBL27968562 0.74 L3MBTL1 (0.47) TAAR1L3MBTL1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768984-B1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2010-10-20 EP disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2006-02-16 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 (2 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-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC TAAR1 3348/4885L3MBTL1 801/4885CA12 4800/4885
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors AURKA, AURKB, AURKC TAAR1 3518/4885L3MBTL1 646/4885CA12 4774/4885

“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.