SCHEMBL4153365

SCHEMBL4153365

CNC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
TYK2 P29597 3/20 0.37
JAK1 P23458 1/20 0.37
NTRK1 P04629 2/20 0.37
CTSL P07711 2/20 0.35
NFE2L2 Q16236 2/20 0.35
CHEK1 O14757 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AURKA O14965 3/20 0.34
KDR P35968 3/20 0.34
PLK4 O00444 2/20 0.34
MAP4K4 O95819 2/20 0.34
PAK4 O96013 2/20 0.34
ABL1 P00519 2/20 0.34
LCK P06239 2/20 0.34
CSF1R P07333 2/20 0.34
RET P07949 2/20 0.34

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
SCHEMBL4153372 1.00 POLB (0.37) POLBTYK2JAK1NTRK1CTSL
SCHEMBL4150256 0.89 POLB (0.40) POLBNTRK1CHEK1LMNASMN1; SMN2
SCHEMBL4150244 0.89 POLB (0.40) POLBNTRK1CHEK1LMNASMN1; SMN2
SCHEMBL4152203 0.89 MAPT (0.45) POLBLMNASMN1; SMN2
SCHEMBL4152208 0.89 MAPT (0.45) POLBLMNASMN1; SMN2
SCHEMBL4150248 0.89 POLB (0.35) POLBCTSLNFE2L2CHEK1NPC1
SCHEMBL6428608 0.89 MAPK1 (0.35) POLBNTRK1CTSLCHEK1NPC1
SCHEMBL6426050 0.89 POLB (0.39) POLBCHEK1KDRABL1CDK2
SCHEMBL4137384 0.88 NFE2L2 (0.38) CTSLNFE2L2CHEK1NPC1RAB9A
SCHEMBL4137389 0.88 NFE2L2 (0.38) CTSLNFE2L2CHEK1NPC1RAB9A

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 POLB 2798/4885TYK2 198/4885JAK1 202/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B POLB 2534/4885TYK2 198/4885JAK1 216/4885

“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.