SCHEMBL6340010

SCHEMBL6340010

COc1cc2nc3c(cnn3-c3ccccn3)c(Cl)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
SLC2A2 P11168 1/20 0.46
SLC2A3 P11169 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NTSR1 P30989 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 6/20 0.42
KIT P10721 2/20 0.40
FLT3 P36888 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40

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
SCHEMBL6340222 0.82 CYP17A1 (0.39) SLC2A1SLC2A2SLC2A3ALDH1A1MAPT
SCHEMBL6351194 0.82 SLC2A1 (0.48) SLC2A1SLC2A2SLC2A3ALDH1A1KDM4E
SCHEMBL6341846 0.81 DPP4 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6344817 0.80 MAOA (0.46) SLC2A1SLC2A2SLC2A3ALDH1A1KDM4E
SCHEMBL6340237 0.79 DPP4 (0.41) SLC2A1SLC2A2SLC2A3ALDH1A1KDM4E
SCHEMBL6344778 0.73 SCN9A (0.40) SLC2A1SLC2A2SLC2A3ALDH1A1MAPT
SCHEMBL7338059 0.72 PDE10A (0.56) ALDH1A1KDM4EMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6341586 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL18367192 0.70 CYP17A1 (0.44) SLC2A1SLC2A2SLC2A3ALDH1A1KDM4E
SCHEMBL30587545 0.70 CYP17A1 (0.44) SLC2A1SLC2A2SLC2A3ALDH1A1KDM4E

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 SLC2A1 4467/4885SLC2A2 4517/4885SLC2A3 4250/4885

“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.