SCHEMBL4153969

SCHEMBL4153969

COc1c(C(=O)NCC2CC2)ccc2[nH]nc(C=Cc3ccc(F)cc3F)c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
LYN P07948 1/20 0.39
GRK2 P25098 1/20 0.39
CLK1 P49759 1/20 0.39
GSK3A P49840 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK7 Q13164 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
HTR4 Q13639 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
SCHEMBL4153956 1.00 GSK3B (0.40) GSK3BNPC1RAB9AJAK1TYK2
SCHEMBL4136499 0.88 GSK3B (0.41) GSK3BJAK1TYK2LYNGRK2
SCHEMBL4136506 0.88 GSK3B (0.41) GSK3BJAK1TYK2LYNGRK2
SCHEMBL4136791 0.87 DRD3 (0.42) DYRK1A
SCHEMBL4136798 0.87 DRD3 (0.42) DYRK1A
SCHEMBL4135790 0.85 GSK3B (0.42) GSK3BJAK1TYK2LYNGRK2
SCHEMBL4135799 0.85 GSK3B (0.42) GSK3BJAK1TYK2LYNGRK2
SCHEMBL4152476 0.85 TP53 (0.43)
SCHEMBL4152478 0.85 TP53 (0.43)
SCHEMBL4153496 0.84 HDAC3 (0.44) GSK3BJAK1TYK2LYNGRK2

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 5 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (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 GSK3B 418/4885NPC1 3183/4885RAB9A 1606/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B GSK3B 452/4885NPC1 3703/4885RAB9A 1726/4885

“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.