SCHEMBL758607

SCHEMBL758607

Cc1cnccc1C(=O)Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.65
ORAI1 Q96D31 2/20 0.65
ORAI3 Q9BRQ5 1/20 0.65
NPSR1 Q6W5P4 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
APP P05067 1/20 0.43
MAPK1 P28482 1/20 0.43
SNCA P37840 1/20 0.43
RIPK1 Q13546 5/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 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
SCHEMBL705896 0.90 STIM1 (0.52) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
SCHEMBL759772 0.90 STIM1 (0.52) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
SCHEMBL759966 0.90 STIM1 (0.71) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL758582 0.89 STIM1 (0.51) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL755387 0.89 STIM1 (0.51) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
SCHEMBL756398 0.89 STIM1 (0.65) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
SCHEMBL756919 0.88 STIM1 (0.50) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
SCHEMBL758185 0.87 STIM1 (0.49) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL756068 0.86 STIM1 (0.48) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
SCHEMBL707514 0.80 STIM1 (0.74) STIM1ORAI1ORAI3NPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US 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 (2 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E STIM1 33/4885ORAI1 1/4885ORAI3 25/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885ORAI3 2440/4885

“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.