SCHEMBL560205

SCHEMBL560205

O=C(Nc1c(F)cccc1F)c1ccn(Cc2ccccc2OC2CCCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.48
PDE4B Q07343 4/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
STAT3 P40763 2/20 0.43
MAPT P10636 1/20 0.43
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38
STIM1 Q13586 1/20 0.38

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
SCHEMBL561402 0.99 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CSMN1; SMN2
SCHEMBL562153 0.86 PTGER1 (0.49) PDE4DPDE4BPDE4APDE4CSMN1; SMN2
SCHEMBL561633 0.84 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561709 0.83 KMT2A (0.51) PDE4DSMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561619 0.81 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561556 0.81 SMN1; SMN2 (0.48) PDE4DSMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561357 0.81 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561255 0.80 SMN1; SMN2 (0.58) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561125 0.79 SMN1; SMN2 (0.46) PDE4DSMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561303 0.79 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1STAT3MAPT

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-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 PDE4D 703/4885PDE4B 484/4885PDE4A 1126/4885

“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.