SCHEMBL6345140

SCHEMBL6345140

Cc1cccc(-n2nc(C)cc2Nc2ccccc2C(=O)O)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.62
MAPT P10636 2/20 0.60
FTO Q9C0B1 1/20 0.53
GAA P10253 3/20 0.46
LMNA P02545 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
PTGS2 P35354 2/20 0.45
AKR1C3 P42330 2/20 0.45
HIF1A Q16665 2/20 0.45
AKR1B10 O60218 1/20 0.45
TRPA1 O75762 1/20 0.45
ABCB11 O95342 1/20 0.45
DHFR P00374 1/20 0.45

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
SCHEMBL6342921 0.90 GFER (0.59) GFERMAPTFTOGAALMNA
SCHEMBL6340206 0.86 GFER (0.62) GFERMAPTFTOGAALMNA
SCHEMBL6342943 0.85 GFER (0.65) GFERMAPTFTOGAALMNA
SCHEMBL6341149 0.85 GFER (0.46) GFERMAPTFTOGAALMNA
SCHEMBL5008346 0.84 GFER (0.80) GFERMAPTFTOGAALMNA
SCHEMBL6346251 0.80 GFER (0.58) GFERMAPTFTOGAALMNA
SCHEMBL6343958 0.80 GFER (0.73) GFERMAPTFTOGAALMNA
SCHEMBL5253749 0.78 GFER (0.61) GFERMAPTFTOLMNAALDH1A1
SCHEMBL1514870 0.77 GFER (1.00) GFERMAPTFTOGAAALDH1A1
SCHEMBL6340031 0.77 GFER (0.66) GFERMAPTFTOGAALMNA

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 GFER 2957/4885MAPT 3408/4885FTO 3351/4885

“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.