SCHEMBL6344823

SCHEMBL6344823

COc1cc(Nc2cc(C)nn2-c2ccccn2)c(C(=O)O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.53
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
RCE1 Q9Y256 1/20 0.44
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.42
NTRK1 P04629 1/20 0.42
GAA P10253 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
AURKA O14965 1/20 0.41

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
SCHEMBL6341693 0.87 GFER (0.63) GFERKMT2AMEN1LMNAPKM
SCHEMBL14600721 0.86 ALDH1A1 (0.48) GFERKMT2AMEN1LMNAMAPT
SCHEMBL6344686 0.85 KMT2A (0.53) GFERKMT2AMEN1LMNAPKM
SCHEMBL6341582 0.85 KMT2A (0.56) GFERKMT2AMEN1LMNAPKM
SCHEMBL6340206 0.85 GFER (0.62) GFERKMT2AMEN1LMNAPKM
SCHEMBL6343631 0.84 MEN1 (0.52) GFERKMT2AMEN1LMNAPKM
SCHEMBL6345124 0.83 MEN1 (0.56) GFERKMT2AMEN1LMNAPKM
SCHEMBL6343392 0.82 KMT2A (0.61) GFERKMT2AMEN1LMNAPKM
SCHEMBL6344753 0.82 KMT2A (0.53) GFERKMT2AMEN1LMNAPKM
SCHEMBL6342656 0.82 KMT2A (0.53) GFERKMT2AMEN1LMNAPKM

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 2957/4885KMT2A 3347/4885MEN1 4422/4885

“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.