SCHEMBL1804119

SCHEMBL1804119

Cc1cc([N+](=O)[O-])c(C)cc1-c1cnco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.49
KMT2A Q03164 3/20 0.44
IMPDH2 P12268 5/20 0.41
IMPDH1 P20839 3/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 2/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16202087 0.78 LMNA (0.47) AAK1KMT2AIMPDH2IMPDH1GAA
SCHEMBL30298766 0.78 AAK1 (0.70) AAK1KMT2AIMPDH2IMPDH1MAPT
SCHEMBL22165625 0.78 AAK1 (0.70) AAK1KMT2AIMPDH2IMPDH1MAPT
SCHEMBL12907860 0.78 ALDH1A1 (0.49) AAK1KMT2AIMPDH2IMPDH1MAPT
SCHEMBL30298789 0.78 ALDH1A1 (0.49) AAK1KMT2AIMPDH2IMPDH1MAPT
SCHEMBL6170663 0.78 ALDH1A1 (0.49) AAK1KMT2AIMPDH2IMPDH1MAPT
SCHEMBL1806303 0.74 KMT2A (0.45) KMT2AMAPTGAAALDH1A1CYP1A2
SCHEMBL4480875 0.73 AAK1 (0.52) AAK1KMT2AMAPTGAAALDH1A1
SCHEMBL16371287 0.73 AAK1 (0.49) AAK1IMPDH2IMPDH1MAPTALDH1A1
SCHEMBL1806540 0.72 IMPDH2 (0.46) AAK1KMT2AIMPDH2IMPDH1GAA

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 AAK1 163/4885KMT2A 2607/4885IMPDH2 68/4885

“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.