SCHEMBL1804372

SCHEMBL1804372

Cc1cc([N+](=O)[O-])c(C)cc1-c1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
KMT2A Q03164 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPBWR1 P48145 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.35
TXNRD1 Q16881 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
MAPT P10636 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
SCHEMBL8540810 0.79 TSHR (0.50) KMT2ANISCHALDH1A1SMN1; SMN2NPBWR1
SCHEMBL8542469 0.78 TSHR (0.49) KMT2ANISCHALDH1A1SMN1; SMN2NPBWR1
SCHEMBL3684600 0.78 NISCH (0.50) BRD4KMT2ANISCHALDH1A1SMN1; SMN2
SCHEMBL1837259 0.78 NISCH (0.50) BRD4KMT2ANISCHALDH1A1SMN1; SMN2
SCHEMBL10680334 0.78 MAPT (0.39) BRD4KMT2ANISCHALDH1A1CYP1A2
SCHEMBL7472053 0.75 BRD4 (0.47) BRD4KMT2ANISCHALDH1A1SMN1; SMN2
SCHEMBL5249670 0.74 MAPT (0.56) KMT2AALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1303527 0.73 CSNK1A1 (0.50) KMT2ANISCHALDH1A1SMN1; SMN2GAA
SCHEMBL8537593 0.73 GSK3B (0.47) KMT2AALDH1A1SMN1; SMN2NPBWR1TSHR
SCHEMBL8536034 0.73 ESR1 (0.43) KMT2AALDH1A1GAAKDM4ECCNB2

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
US-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
EP-2331526-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-06-15 EP disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
WO-2009158431-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-12-30 WO 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-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK BRD4 2708/4885KMT2A 2607/4885NISCH 2262/4885

“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.