SCHEMBL560685

SCHEMBL560685

O=C(Nc1c(F)cccc1F)c1cnn(Cc2ccccc2OCC2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.41
PIM3 Q86V86 3/20 0.40
PIM2 Q9P1W9 3/20 0.40
PIM1 P11309 2/20 0.40
RIPK1 Q13546 6/20 0.39
CYP2D6 P10635 1/20 0.39
DCPS Q96C86 1/20 0.39
ACHE P22303 1/20 0.38
GSK3B P49841 1/20 0.38
C5AR1 P21730 1/20 0.37
ABCB11 O95342 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HIF1A Q16665 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
CTSL P07711 1/20 0.37
P2RX4 Q99571 1/20 0.36
CNR1 P21554 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
SCHEMBL561292 0.96 PTGER1 (0.40) PTGER1PIM3PIM2PIM1RIPK1
SCHEMBL561805 0.82 PTGER1 (0.41) PTGER1RIPK1
SCHEMBL561633 0.80 SMN1; SMN2 (0.44) PTGER1PIM3PIM2PIM1RIPK1
SCHEMBL560895 0.79 SCD (0.40) PTGER1HIF1A
SCHEMBL560583 0.75 PTGER1 (0.71) PTGER1
SCHEMBL561984 0.73 PTGER1 (0.55) PTGER1
SCHEMBL560971 0.73 PTGER1 (0.53) PTGER1ABCB11PDE4APDE4BPDE4C
SCHEMBL561285 0.73 PTGER1 (0.55) PTGER1PDE4APDE4BPDE4CPDE4D
SCHEMBL757087 0.72 STIM1 (0.53) PTGER1
SCHEMBL561016 0.72 PTGER1 (0.47) PTGER1PDE4DCNR1

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 1951/4885PIM3 52/4885PIM2 49/4885

“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.