SCHEMBL6426121

SCHEMBL6426121

COc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(/C=C/c3ccc(F)cc3F)c12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
KCNK3 O14649 3/20 0.36
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.35
SPR P35270 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.34
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDR P35968 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
ITK Q08881 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
SCHEMBL6427309 0.90 KDM4E (0.44) JAK1TYK2KDM4EALDH1A1KDR
SCHEMBL13927768 0.88 KDM4E (0.47) MAPK1KDM4EALDH1A1
SCHEMBL13927767 0.87 HPGDS (0.38) HPGDSKCNK3SPRJAK1TYK2
SCHEMBL6426893 0.85 TUBB1 (0.39) HPGDSSPRJAK1TYK2MAPK1
SCHEMBL6426065 0.85 HPGDS (0.37) HPGDSSPRJAK1TYK2MAPK1
SCHEMBL6426431 0.85 HPGDS (0.40) HPGDSSPRTYK2MAPK1KDR
SCHEMBL6426235 0.85 HPGD (0.45) MAPK1KDM4EALDH1A1
SCHEMBL5031205 0.85 HPGDS (0.37) HPGDSKCNK3SPRJAK1TYK2
SCHEMBL4152476 0.85 TP53 (0.43) KCNK3MAPK1KDM4EALDH1A1KDR
SCHEMBL4152478 0.85 TP53 (0.43) KCNK3MAPK1KDM4EALDH1A1KDR

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B HPGDS 3246/4885KCNK3 666/4885KCNH2 936/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HPGDS 3567/4885KCNK3 715/4885KCNH2 979/4885

“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.