SCHEMBL6342122

SCHEMBL6342122

Cc1cc(Nc2cc(F)c(F)cc2C(=O)O)n(-c2ccncc2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.53
MAPT P10636 2/20 0.51
GAA P10253 5/20 0.48
KCNJ6 P48051 3/20 0.47
KCNJ5 P48544 3/20 0.47
KCNJ3 P48549 3/20 0.47
NTRK1 P04629 4/20 0.45
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
STAT1 P42224 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.40
FTO Q9C0B1 1/20 0.39

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
SCHEMBL6351819 0.87 GFER (0.49) GFERMAPTGAAKCNJ6KCNJ5
SCHEMBL6343958 0.83 GFER (0.73) GFERMAPTGAAKCNJ6KCNJ5
SCHEMBL6341582 0.81 KMT2A (0.56) GFERMAPTGAAKCNJ6KCNJ5
SCHEMBL6341149 0.80 GFER (0.46) GFERMAPTGAAKCNJ6KCNJ5
SCHEMBL17610516 0.78 GFER (0.62) GFERMAPTGAAKCNJ6KCNJ5
SCHEMBL5008346 0.75 GFER (0.80) GFERMAPTGAAKCNJ6KCNJ5
SCHEMBL14600238 0.73 MAPK14 (0.53) GAA
SCHEMBL6342656 0.73 KMT2A (0.53) GFERMAPTGAANTRK1HPGD
SCHEMBL6344753 0.73 KMT2A (0.53) GFERMAPTGAANTRK1HPGD
SCHEMBL14600237 0.73 MAPK14 (0.55) GAA

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 3408/4885GAA 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.