SCHEMBL561358

SCHEMBL561358

O=C(Nc1c(F)cccc1F)c1c[nH]nn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPK14 Q16539 1/20 0.43
PDE4D Q08499 2/20 0.42
KMT2A Q03164 2/20 0.41
NPY5R Q15761 1/20 0.40
NLRP3 Q96P20 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
MEN1 O00255 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.38
S1PR4 O95977 1/20 0.38
HDAC1 Q13547 1/20 0.37
PYGL P06737 1/20 0.37
PYGM P11217 1/20 0.37
GBA1 P04062 1/20 0.36

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
SCHEMBL3232365 0.78 MEN1 (0.51) MAPK14KMT2AMEN1
SCHEMBL11118544 0.77 TP53 (0.52) ALDH1A1KMT2AMEN1GAA
SCHEMBL561714 0.76 ALDH1A1 (0.47) ALDH1A1MAPK14PDE4DKMT2ANPY5R
SCHEMBL4593089 0.76 POLB (0.56) ALDH1A1KMT2A
SCHEMBL4752431 0.75 MEN1 (0.52) ALDH1A1KMT2AMEN1GAA
SCHEMBL31133474 0.74 POLB (0.46) ALDH1A1MAPK14PDE4DKMT2ANPY5R
SCHEMBL17136102 0.72 HDAC6 (0.57) HDAC1
SCHEMBL693373 0.72 CYP1A2 (0.50) ALDH1A1MAPK14PDE4DKMT2ANPY5R
SCHEMBL19100236 0.71 KDM4E (0.53) ALDH1A1KMT2AJAK2JAK1TYK2
SCHEMBL30852801 0.71 HPGD (0.53) ALDH1A1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 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-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS RYR2, PAICS, CTRC ALDH1A1 1856/4885MAPK14 3403/4885PDE4D 703/4885

“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.