SCHEMBL4674384

SCHEMBL4674384

CSc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc3ccccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
PDPK1 O15530 4/20 0.42
PTGS1 P23219 3/20 0.42
HSD11B1 P28845 2/20 0.42
AKT1 P31749 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
LIPE Q05469 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
MAPK8 P45983 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL5865561 0.86 PTGS1 (0.42) PTGS2PTGS1SMN1; SMN2KDM4EMEN1
SCHEMBL28869838 0.86 PDPK1 (0.45) PDPK1PTGS1HSD11B1CYP1A2RAB9A
SCHEMBL1115174 0.84 HSD11B1 (0.39) PTGS2PDPK1PTGS1HSD11B1AKT1
SCHEMBL5865601 0.83 PTGS2 (0.44) PTGS2PDPK1PTGS1CYP3A4CYP2C9
SCHEMBL5205230 0.83 LMNA (0.46) PTGS2PTGS1CYP1A2CYP3A4GABRP
SCHEMBL5202264 0.82 PTGS2 (0.43) PTGS2PTGS1SMN1; SMN2GABRPGABRD
SCHEMBL5865366 0.82 PTGS2 (0.43) PTGS2PTGS1CYP1A2CYP2C9CYP2C19
SCHEMBL5204715 0.81 PTGS2 (0.58) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL6885231 0.81 PTGS2 (0.58) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5201440 0.81 PTGS2 (0.49) PTGS2PDPK1PTGS1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565456-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2008-10-01 EP disclosed
EP-1565456-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2008-10-01 EP disclosed
EP-1565456-A4 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORP (KR) 2007-08-01 EP disclosed
US-7230010-B2 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2007-06-12 US disclosed
US-7230010-B2 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2007-06-12 US disclosed
US-7230010-B2 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2007-06-12 US disclosed
EP-1565456-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 EP disclosed
WO-2004048367-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 WO disclosed
US-20040106612-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2004-06-03 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-20040106612-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same NAT1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1B1 PTGS2 3173/4885PDPK1 1298/4885PTGS1 1278/4885

“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.