SCHEMBL6344720

SCHEMBL6344720

Cc1nn(-c2cccnc2)c2nc3cc(F)c(F)cc3c(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR3C1 P04150 1/20 0.42
TP53 P04637 1/20 0.40
PIK3CD O00329 6/20 0.40
GRM1 Q13255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PIK3CB P42338 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP11B2 P19099 1/20 0.37

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
SCHEMBL6341300 0.86 KDM4E (0.43) HPGDKDM4EGAAHSD17B10TP53
SCHEMBL6342687 0.84 KDM4E (0.52) HPGDKDM4EGAAHSD17B10NR3C1
SCHEMBL6342681 0.79 ALDH1A1 (0.42) HPGDKDM4EGAAHSD17B10PIK3CD
SCHEMBL6343765 0.77 HPGD (0.36) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL6344836 0.72 KDM4E (0.41) HPGDKDM4EGAAHSD17B10PIK3CD
SCHEMBL6345276 0.72 KDM4E (0.41) HPGDKDM4EGAAHSD17B10PIK3CD
Hydrochloric Acid SCHEMBL6352990 0.71 ALOX12 (0.45) HPGDKDM4EHSD17B10NR3C1PIK3CD
SCHEMBL6342769 0.71 SMN1; SMN2 (0.49) HPGDKDM4EGAAHSD17B10TP53
SCHEMBL6345004 0.70 KDM4E (0.43) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL6341112 0.70 KDM4E (0.56) HPGDKDM4EHSD17B10NR3C1TP53

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 HPGD 19/4885KDM4E 1741/4885GAA 4025/4885

“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.