SCHEMBL561016

SCHEMBL561016

O=C(Nc1c(F)cccc1F)c1cnn(Cc2cc(Cl)ccc2O)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.47
ANO1 Q5XXA6 5/20 0.41
S1PR4 O95977 1/20 0.40
KCNMA1 Q12791 1/20 0.40
POLB P06746 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
NPY5R Q15761 1/20 0.37
CNR1 P21554 1/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
RORC P51449 1/20 0.36
PDE4D Q08499 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
SCHEMBL561285 0.82 PTGER1 (0.55) PTGER1PDE4D
SCHEMBL560583 0.82 PTGER1 (0.71) PTGER1
SCHEMBL561984 0.82 PTGER1 (0.55) PTGER1
SCHEMBL561382 0.82 SMN1; SMN2 (0.47) PTGER1ANO1S1PR4KCNMA1POLB
SCHEMBL560895 0.79 SCD (0.40) PTGER1CACNA1GCACNA1HCACNA1INPY5R
SCHEMBL561805 0.75 PTGER1 (0.41) PTGER1SCDSCD5
SCHEMBL560685 0.72 PTGER1 (0.41) PTGER1CNR1PDE4D
SCHEMBL30771732 0.71 P2RX1 (0.64) KCNMA1
SCHEMBL18341307 0.71 P2RX1 (0.64) KCNMA1
SCHEMBL561292 0.71 PTGER1 (0.40) PTGER1RORC

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 PTGER1 1951/4885ANO1 607/4885S1PR4 1580/4885

“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.