SCHEMBL6426323

SCHEMBL6426323

COc1c(C(=O)NCCC(N)=O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.37
BCR P11274 3/20 0.37
MAPT P10636 2/20 0.36
KCNA3 P22001 1/20 0.35
DRD2 P14416 4/20 0.35
DRD3 P35462 3/20 0.35
DRD4 P21917 3/20 0.35
HPGD P15428 1/20 0.34
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
KDR P35968 1/20 0.34
HTR1A P08908 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RORC P51449 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6427398 0.95 DRD2 (0.38) ABL1BCRMAPTKCNA3DRD2
SCHEMBL6426050 0.91 POLB (0.39) ABL1BCRMAPTKCNA3DRD2
SCHEMBL4148230 0.91 CHEK1 (0.35) ABL1BCRMAPTKCNA3DRD2
SCHEMBL4148210 0.91 CHEK1 (0.35) ABL1BCRMAPTKCNA3DRD2
SCHEMBL6427274 0.89 MAPT (0.35) ABL1BCRMAPTKCNA3DRD2
SCHEMBL6425942 0.89 DRD2 (0.39) ABL1BCRMAPTKCNA3DRD2
SCHEMBL6430155 0.88 HDAC6 (0.39) ABL1BCRMAPTKCNA3DRD2
SCHEMBL6428558 0.87 DRD2 (0.39) ABL1BCRMAPTKCNA3DRD2
SCHEMBL6426305 0.87 DRD3 (0.37) ABL1BCRMAPTKCNA3DRD2
SCHEMBL6425796 0.86 DRD2 (0.37) ABL1BCRMAPTKCNA3DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ABL1 339/4885BCR 853/4885MAPT 3014/4885

“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.