SCHEMBL305116

SCHEMBL305116

CN(C)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
NPSR1 Q6W5P4 1/20 0.58
PTGS2 P35354 4/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GPR35 Q9HC97 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL11832913 0.85 MAPT (0.66) MAPTNPSR1PTGS2MAPK1ALDH1A1
SCHEMBL11140206 0.83 MAPK1 (0.50) MAPTNPSR1PTGS2MAPK1ALDH1A1
SCHEMBL1493253 0.82 ALDH5A1 (0.58) MAPTNPSR1PTGS2MAPK1ALDH1A1
SCHEMBL1493252 0.82 ALDH5A1 (0.58) MAPTNPSR1PTGS2MAPK1ALDH1A1
SCHEMBL31361989 0.82 MAPT (0.72) MAPTNPSR1PTGS2MAPK1ALDH1A1
SCHEMBL27598146 0.81 ALDH1A1 (0.51) MAPTNPSR1PTGS2MAPK1ALDH1A1
SCHEMBL27898136 0.80 MAPK1 (0.53) MAPTNPSR1MAPK1ALDH1A1TP53
SCHEMBL3378073 0.80 MAPK1 (0.50) MAPTNPSR1MAPK1ALDH1A1TP53
SCHEMBL2038302 0.79 MAPT (0.73) MAPTNPSR1PTGS2MAPK1ALDH1A1
SCHEMBL11353420 0.78 MAPT (0.61) MAPTNPSR1PTGS2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093244-B2 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS CORPORATION (US) 2012-01-10 US disclosed
CN-102219784-A Heteroaryl urea derivatives useful for inhibition of CHK1 ICOS CORP 2011-10-19 CN disclosed
CN-101151259-B Heteroaryl urea derivatives useful for inhibition of CHK1 ICOS CORP 2011-06-15 CN disclosed
EP-2330105-A1 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS Corporation (US) 2011-06-08 EP disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 US disclosed
CN-101151259-A Heteroaryl urea derivatives useful for inhibition of CHKI ICOS CORP (US) 2008-03-26 CN disclosed
EP-1869020-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS Corporation (US) 2007-12-26 EP disclosed
WO-2006105262-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS CORPORATION (US) 2006-10-05 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-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA MAPT 2615/4885NPSR1 4863/4885PTGS2 3802/4885

“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.