SCHEMBL5205307

SCHEMBL5205307

CSc1ccc(-n2nc(C)nc2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
ALDH1A3 P47895 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK10 P53779 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5202645 0.85 PTGS2 (0.53) SMN1; SMN2ALDH1A1KDM4EMEN1USP2
SCHEMBL5201918 0.85 MAPK13 (0.46) SMN1; SMN2MEN1KMT2AMAPK10LMNA
SCHEMBL5203715 0.85 LMNA (0.43) ALDH1A1KDM4EMEN1USP2POLB
SCHEMBL10585221 0.85 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL6165726 0.84 KDM4E (0.44) SMN1; SMN2L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL5865561 0.82 PTGS1 (0.42) SMN1; SMN2L3MBTL1ALDH1A1ALDH1A3KDM4E
SCHEMBL6885923 0.79 NR1H3 (0.57) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL6883364 0.77 POLB (0.48) SMN1; SMN2ALDH1A1MEN1POLBMAPT
SCHEMBL5207846 0.76 PTGS2 (0.62) SMN1; SMN2PTGS2
SCHEMBL11020712 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT

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-1458706-B1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2007-07-11 EP disclosed
US-7169929-B2 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2007-01-30 US disclosed
US-7135572-B2 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP (KR) 2006-11-14 US disclosed
US-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2006-01-12 US disclosed
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2005-04-07 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 (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-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 SMN1; SMN2 4607/4885L3MBTL1 3088/4885ALDH1A1 110/4885
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 SMN1; SMN2 4701/4885L3MBTL1 3168/4885ALDH1A1 120/4885

“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.