SCHEMBL561285

SCHEMBL561285

CCCCOc1ccc(Cl)cc1Cn1ncc(C(=O)Nc2c(F)cccc2F)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.55
PDE4D Q08499 2/20 0.44
SGMS2 Q8NHU3 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
NLRP3 Q96P20 2/20 0.40
RAB9A P51151 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
SCHEMBL561984 0.88 PTGER1 (0.55) PTGER1
SCHEMBL560583 0.86 PTGER1 (0.71) PTGER1
SCHEMBL561142 0.85 PTGER1 (0.56) PTGER1PDE4DSGMS2PDE4APDE4B
SCHEMBL561016 0.82 PTGER1 (0.47) PTGER1PDE4D
SCHEMBL561193 0.80 PTGER1 (0.56) PTGER1PDE4DNLRP3RAB9A
SCHEMBL561589 0.74 PTGER1 (0.54) PTGER1PDE4DRAB9A
SCHEMBL560685 0.73 PTGER1 (0.41) PTGER1PDE4DPDE4APDE4BPDE4C
SCHEMBL561125 0.73 SMN1; SMN2 (0.46) PTGER1PDE4DRAB9A
SCHEMBL561269 0.73 PTGER1 (0.61) PTGER1
SCHEMBL561805 0.72 PTGER1 (0.41) PTGER1

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
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US claimed
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 1951/4885PDE4D 703/4885SGMS2 1954/4885

“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.