SCHEMBL6339609

SCHEMBL6339609

Cc1cccnc1-n1nc(C)c2c(Cl)c3ccccc3nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 6/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NR3C1 P04150 3/20 0.36
GRM4 Q14833 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 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
SCHEMBL6345289 0.86 NPSR1 (0.39) NPSR1MEN1KMT2AKDM4EHPGD
SCHEMBL6343951 0.85 NPSR1 (0.46) NPSR1MEN1KMT2AKDM4EHPGD
SCHEMBL6350556 0.85 KDM4E (0.38) NPSR1MEN1KMT2AKDM4EHPGD
SCHEMBL6342814 0.85 KDM4E (0.47) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL6343061 0.82 ALDH1A1 (0.46) NPSR1MEN1KMT2AKDM4EHPGD
SCHEMBL6341112 0.79 KDM4E (0.56) NPSR1MEN1KMT2AKDM4EHPGD
SCHEMBL6342687 0.78 KDM4E (0.52) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL6345125 0.77 KDM4E (0.43) NPSR1MEN1KMT2AKDM4EHPGD
SCHEMBL6342700 0.77 ACHE (0.39) NPSR1MEN1KMT2AKDM4EHPGD
SCHEMBL6351800 0.76 KDM4E (0.48) NPSR1MEN1KMT2AKDM4EHPGD

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 2927/4885MEN1 4422/4885KMT2A 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.