SCHEMBL560947

SCHEMBL560947

CCOC(=O)c1ccn(Cc2ccccc2Oc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
CYP19A1 P11511 1/20 0.43
FAAH O00519 1/20 0.43
P2RX3 P56373 1/20 0.42
TSHR P16473 4/20 0.42
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SCN9A Q15858 1/20 0.40
PTGER1 P34995 1/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL560934 0.85 PTGER1 (0.52) KMT2ANPC1RAB9AMEN1PTGDR2
SCHEMBL562080 0.83 MEN1 (0.49) KMT2ANPC1RAB9AMEN1PTGDR2
SCHEMBL561325 0.83 KMT2A (0.50) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL29819680 0.81 NPC1 (0.77) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL17610981 0.81 KMT2A (0.55) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL18338361 0.80 LMNA (0.65) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL561619 0.75 SMN1; SMN2 (0.46) KMT2ANPC1RAB9AMEN1PTGDR2
SCHEMBL561007 0.75 KMT2A (0.51) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL1739337 0.74 ALDH1A1 (0.61) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL561638 0.73 NPC1 (0.43) KMT2ANPC1RAB9AMEN1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421834-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP 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
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
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 KMT2A 3378/4885NPC1 2163/4885RAB9A 1294/4885

“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.