SCHEMBL6345289

SCHEMBL6345289

Cc1cccnc1-n1nc(C)c2c(Cl)c3c(C)cccc3nc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 6/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE2A O00408 2/20 0.33
POLB P06746 1/20 0.33
NR3C1 P04150 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6339609 0.86 NPSR1 (0.46) NPSR1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6342700 0.85 ACHE (0.39) NPSR1KDM4EHPGDELANEKMT2A
SCHEMBL6343135 0.84 ALDH1A1 (0.42) NPSR1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6350556 0.81 KDM4E (0.38) NPSR1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6343951 0.77 NPSR1 (0.46) NPSR1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6344633 0.75 ELANE (0.40) NPSR1KDM4EHPGDHSD17B10ELANE
SCHEMBL6344329 0.72 ALDH1A1 (0.41) NPSR1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6344735 0.72 KDM4E (0.43) NPSR1KDM4EHPGDKMT2AMEN1
SCHEMBL6342814 0.70 KDM4E (0.47) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL6345793 0.69 MAPT (0.47) NPSR1KDM4EHPGDHSD17B10KMT2A

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 NPSR1 2927/4885KDM4E 1741/4885HPGD 19/4885

“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.