SCHEMBL5205230

SCHEMBL5205230

CSc1ccc(-n2nc(C(F)(F)F)nc2-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.45
PTGS2 P35354 4/20 0.43
MALT1 Q9UDY8 1/20 0.43
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
DYRK3 O43781 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
GABRA1 P14867 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 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
SCHEMBL5202264 0.87 PTGS2 (0.43) KMT2APTGS2MALT1GABRA1GABRG2
SCHEMBL5865366 0.87 PTGS2 (0.43) LMNAKMT2APTGS2MALT1ALDH1A1
SCHEMBL5865561 0.86 PTGS1 (0.42) KMT2APTGS2ALDH1A1NPSR1PTGS1
SCHEMBL4674384 0.83 PTGS2 (0.42) KMT2APTGS2GABRA1GABRG2GABRB3
SCHEMBL5273708 0.81 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5865601 0.81 PTGS2 (0.44) LMNAPTGS2GABRA1GABRG2GABRB3
SCHEMBL5865655 0.80 PTGS2 (0.42) PTGS2MALT1GABRA1GABRG2GABRB3
SCHEMBL5278633 0.80 MAPK13 (0.46) PTGS2ALDH1A1PTGS1KDM4EMAPK14
SCHEMBL5207432 0.79 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL11019092 0.79 LMNA (0.53) LMNAKMT2APTGS2MALT1NR3C1

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
EP-1539718-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-7019144-B2 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2006-03-28 US disclosed
EP-1539718-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-06-15 EP disclosed
US-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2005-04-07 US disclosed
WO-2004014878-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-02-19 WO 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-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CYP4B1, CYP3A5, CYP7A1 LMNA 4286/4885KMT2A 2661/4885PTGS2 1769/4885

“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.