SCHEMBL6345248

SCHEMBL6345248

Cc1nn(-c2ccccn2)c2nc3ccc([N+](=O)[O-])cc3c(Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 5/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 4/20 0.41
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
HRAS P01112 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6343076 0.92 KDM4E (0.41) PTGS2CA9KDM4EALDH1A1MAPT
SCHEMBL6345022 0.84 MEN1 (0.48) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6340244 0.84 SPR (0.47) CA9KDM4EALDH1A1MAPTHPGD
SCHEMBL6343650 0.83 CNR2 (0.43) PTGS2CA9KDM4EALDH1A1MAPT
SCHEMBL6340229 0.82 KDM4E (0.44) CA9KDM4EALDH1A1MAPTHPGD
SCHEMBL6353414 0.82 SPR (0.46) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6343061 0.81 ALDH1A1 (0.46) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6343058 0.81 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6342526 0.81 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6353290 0.81 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP 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-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 PTGS2 6/4885CA9 2134/4885KDM4E 1741/4885

“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.