SCHEMBL6903690

SCHEMBL6903690

O=c1[nH][nH]c(-c2cccc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CNR2 P34972 1/20 0.45
DAO P14920 3/20 0.44
SCN2A Q99250 1/20 0.43
NOTUM Q6P988 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
GPX4 P36969 1/20 0.43
GSK3B P49841 1/20 0.43
PIM3 Q86V86 1/20 0.43
BRSK1 Q8TDC3 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
MAPK14 Q16539 3/20 0.42
XDH P47989 1/20 0.42
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6906108 0.94 MAPT (0.48) MAPTCNR2DAOSCN2ANOTUM
SCHEMBL6906868 0.83 MAPT (0.50) MAPTCNR2DAONOTUMGSK3B
SCHEMBL3265916 0.78 MAPK14 (0.53) MAPTGSK3BMAPK14MAPK9ALDH1A1
SCHEMBL29420699 0.72 KIF11 (0.62) CNR2SCN2ANOTUMALDH1A1MAOB
SCHEMBL307920 0.72 KIF11 (0.62) CNR2SCN2ANOTUMALDH1A1MAOB
SCHEMBL22978405 0.72 CNR2 (0.53) MAPTCNR2SCN2AALDH1A1LMNA
SCHEMBL26821704 0.70 KIF11 (0.67) CNR2SCN2AALDH1A1MAOB
SCHEMBL24106776 0.70 KIF11 (0.67) CNR2SCN2AALDH1A1MAOB
SCHEMBL18049427 0.70 PTGS2 (0.53) MAPTCNR2SCN2ANOTUMPIM1
SCHEMBL29678302 0.70 TSHR (0.58) SCN2ANOTUMALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673923-B2 PYRAZOLE AND PYRAZOLONE DERIVATIVES, USEFUL AS RNA POLYMERASE INHIBITORS AND ANTIBIOTICS TULARIK INC. 2004-01-06 US disclosed
US-20020049205-A1 Pyrazole antimicrobial agents AMGEN INC. 2002-04-25 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-20020049205-A1 Pyrazole antimicrobial agents POLRMT, POLR1C, RNGTT MAPT 3935/4885CNR2 4550/4885DAO 1742/4885

“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.