SCHEMBL6350556

SCHEMBL6350556

Cc1cccnc1-n1nc(C)c2c(Cl)c3cccc(C)c3nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GLA P06280 1/20 0.35
BLM P54132 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
RAD52 P43351 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE2A O00408 1/20 0.32
LMNA P02545 1/20 0.32
CCR1 P32246 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
SCHEMBL6344735 0.85 KDM4E (0.43) KDM4EHPGDNPSR1L3MBTL1GLA
SCHEMBL6339609 0.85 NPSR1 (0.46) KDM4EHPGDHSD17B10NPSR1L3MBTL1
SCHEMBL6341358 0.84 KDM4E (0.41) KDM4EHPGDHSD17B10NPSR1L3MBTL1
SCHEMBL6345289 0.81 NPSR1 (0.39) KDM4EHPGDHSD17B10NPSR1MEN1
SCHEMBL6344619 0.79 KDM4E (0.36) KDM4EHPGDHSD17B10L3MBTL1BLM
SCHEMBL5468508 0.78 NPC1 (0.38) KDM4EHPGDHSD17B10L3MBTL1GLA
SCHEMBL6342644 0.75 KDM4E (0.38) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL6343129 0.75 CCNA2 (0.38) KDM4EHPGDHSD17B10L3MBTL1MEN1
SCHEMBL6339835 0.75 KDM4E (0.37) KDM4EHPGDHSD17B10NPSR1L3MBTL1
SCHEMBL6343951 0.73 NPSR1 (0.46) KDM4EHPGDHSD17B10NPSR1GLA

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 1741/4885HPGD 19/4885HSD17B10 802/4885

“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.