SCHEMBL6345125

SCHEMBL6345125

Cc1nn(-c2nccs2)c2nc3ccccc3c(Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 2/20 0.42
NR3C1 P04150 4/20 0.37
PDE11A Q9HCR9 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
P2RX7 Q99572 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
MPI P34949 1/20 0.34
EP300 Q09472 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 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
SCHEMBL6340047 0.86 ALDH1A1 (0.43) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6342814 0.81 KDM4E (0.47) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6343061 0.79 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6341112 0.78 KDM4E (0.56) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6339609 0.77 NPSR1 (0.46) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6351800 0.75 KDM4E (0.48) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6342708 0.75 KDM4E (0.43) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6344026 0.75 KDM4E (0.43) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6342687 0.75 KDM4E (0.52) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6341568 0.74 KDM4E (0.45) KDM4EALDH1A1KMT2AHPGDMEN1

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 KDM4E 1741/4885ALDH1A1 1061/4885KMT2A 3347/4885

“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.