SCHEMBL6521458

SCHEMBL6521458

O=c1[nH]c2ncccc2c2cc(NCc3cccc([N+](=O)[O-])c3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AURKA O14965 1/20 0.46
PARP1 P09874 1/20 0.46
EGFR P00533 5/20 0.45
IGF1R P08069 4/20 0.45
PDE5A O76074 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MET P08581 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42

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
SCHEMBL3454371 0.83 AURKA (0.60) AURKAPARP1EGFRMET
SCHEMBL6519127 0.83 CDC7 (0.51) KDM4EAURKAPARP1
SCHEMBL6523494 0.83 AURKA (0.50) AURKAPARP1EGFRIGF1RKMT2A
SCHEMBL6517978 0.83 CDC7 (0.52) MAPTKDM4EALDH1A1TDP1AURKA
SCHEMBL6517544 0.82 FGFR1 (0.51) MAPTKDM4EALDH1A1AURKAPARP1
SCHEMBL12846396 0.82 PARP1 (0.49) KDM4EAURKAPARP1EGFRMET
SCHEMBL6516089 0.81 AURKA (0.54) MAPTKDM4EALDH1A1AURKAPARP1
SCHEMBL6517545 0.80 LRRK2 (0.53) AURKAPARP1
SCHEMBL3454238 0.80 ROCK2 (0.54) MAPTKDM4EAURKAPARP1EGFR
SCHEMBL6518102 0.80 ALDH3A1 (0.52) MAPTKDM4EALDH1A1AURKAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 MAPT 1565/4885KDM4E 1872/4885ALDH1A1 4501/4885

“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.