SCHEMBL2878422

SCHEMBL2878422

Cc1nc([N+](=O)[O-])cn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.48
BRD4 O60885 1/20 0.46
PKM P14618 2/20 0.46
SOS1 Q07889 1/20 0.43
MITF O75030 1/20 0.42
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
POLB P06746 2/20 0.40
GFER P55789 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 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
SCHEMBL28290787 0.81 ALDH1A1 (0.54) ALDH1A1KMT2APKMSOS1MITF
SCHEMBL2878564 0.80 DRD2 (0.42) ALDH1A1BRD4STK17BSTK17AGFER
SCHEMBL585025 0.80 ALDH1A1 (0.41) ALDH1A1KMT2ABRD4STK17BSTK17A
SCHEMBL2878417 0.80 TAAR1 (0.46) ALDH1A1BRD4PKMGFERCA12
SCHEMBL31420756 0.77 CA12 (0.52) ALDH1A1KMT2ABRD4GFERCA12
SCHEMBL27726673 0.76 ALDH1A1 (0.50) ALDH1A1KMT2APKMSOS1MITF
SCHEMBL30877555 0.76 KDM4E (0.46) ALDH1A1KMT2ABRD4MITFPOLB
SCHEMBL10264585 0.75 LMNA (0.46) ALDH1A1KMT2ABRD4PKMPOLB
SCHEMBL21069375 0.75 STK17B (0.44) KMT2ABRD4STK17BSTK17A
SCHEMBL13740907 0.75 ALDH1A1 (0.45) ALDH1A1KMT2ABRD4POLB

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 6 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
EP-1768984-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2007-04-04 EP disclosed
WO-2006036266-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2006-04-06 WO 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 ALDH1A1 3035/4885KMT2A 529/4885BRD4 654/4885
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors AURKA, AURKB, AURKC ALDH1A1 2795/4885KMT2A 551/4885BRD4 848/4885

“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.