SCHEMBL6344781

SCHEMBL6344781

CCCCCc1c2ccccc2nc2c1c(C)nn2-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
TLR8 Q9NR97 7/20 0.43
TSHR P16473 3/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL6351791 0.97 ALDH1A1 (0.47) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6343111 0.93 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6351683 0.90 ALDH1A1 (0.50) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6344476 0.83 ALDH1A1 (0.48) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6344384 0.83 ALDH1A1 (0.45) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6343768 0.83 SLC2A1 (0.46) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6343975 0.81 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6345998 0.81 ALDH1A1 (0.47) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6351852 0.80 ALDH1A1 (0.48) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6343952 0.80 ALDH1A1 (0.53) KDM4EALDH1A1MAPTHPGDGAA

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 KDM4E 1741/4885ALDH1A1 1061/4885MAPT 3408/4885

“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.