SCHEMBL2116636

SCHEMBL2116636

CC(=O)Nc1ccc(F)c(Cn2ccc(N=C=S)n2)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
EGFR P00533 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CACNA1G O43497 3/20 0.31
CACNA1H O95180 3/20 0.31
CACNA1I Q9P0X4 3/20 0.31
CACNA1C Q13936 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
KMT2A Q03164 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL3705728 0.88 STIM1 (0.35) STIM1ORAI1EGFRSMN1; SMN2LMNA
SCHEMBL2113747 0.80 ALDH1A1 (0.43) STIM1ORAI1EGFRSMN1; SMN2LMNA
SCHEMBL633360 0.75 ALDH1A1 (0.37) STIM1ORAI1EGFRSMN1; SMN2ALDH1A1
SCHEMBL2114895 0.73 SCN2A (0.39) STIM1ORAI1EGFRSMN1; SMN2LMNA
SCHEMBL3440077 0.72 STIM1 (0.50) STIM1ORAI1EGFRSMN1; SMN2LMNA
SCHEMBL15164143 0.71 MEN1 (0.31) ALDH1A1KMT2A
SCHEMBL2115291 0.70 EGFR (0.43) EGFRSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL2114658 0.68 HDAC1 (0.44) LMNAALDH1A1MAPTHPGDHDAC1
SCHEMBL2117442 0.66 STIM1 (0.60) STIM1ORAI1EGFRSMN1; SMN2LMNA
SCHEMBL15154620 0.65 KLKB1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
EP-2419426-B1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LTD (GB) 2013-08-14 EP disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 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-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS H1-3, CHRM2, TBL3 STIM1 4553/4885ORAI1 4752/4885EGFR 3638/4885

“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.