SCHEMBL6343129

SCHEMBL6343129

COc1cccc(-n2nc(C)c3c(Cl)c4cccc(C)c4nc32)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
KDM4E B2RXH2 7/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 2/20 0.34
RECQL P46063 1/20 0.33
ALOX5 P09917 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
GSK3B P49841 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
SCHEMBL6339835 0.88 KDM4E (0.37) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL6353344 0.86 MAPT (0.41) CCNA2CDK2KDM4EHPGDMAPT
SCHEMBL6341358 0.81 KDM4E (0.41) CCNA2CDK2KDM4EHPGDHSD17B10
SCHEMBL6342644 0.80 KDM4E (0.38) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL6344619 0.78 KDM4E (0.36) CCNA2CDK2KDM4EHPGDHSD17B10
SCHEMBL6350556 0.75 KDM4E (0.38) KDM4EHPGDHSD17B10ALDH1A1L3MBTL1
SCHEMBL5468508 0.75 NPC1 (0.38) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL6353601 0.75 KDM4E (0.39) KDM4EHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL6342315 0.73 KDM4E (0.39) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL6344633 0.71 ELANE (0.40) KDM4EHPGDHSD17B10MAPTALDH1A1

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 CCNA2 2520/4885CDK2 193/4885KDM4E 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.