SCHEMBL695987

SCHEMBL695987

O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
NPSR1 Q6W5P4 4/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
EGFR P00533 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PTGER1 P34995 2/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 1/20 0.51
STAT3 P40763 1/20 0.51

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
SCHEMBL30096611 0.88 STIM1 (0.64) LMNANPSR1GAASMN1; SMN2HPGD
SCHEMBL758257 0.88 STIM1 (0.64) LMNANPSR1GAASMN1; SMN2HPGD
SCHEMBL758182 0.88 STIM1 (0.64) LMNANPSR1GAASMN1; SMN2HPGD
SCHEMBL761809 0.87 NPC1 (0.51) LMNANPSR1GAASMN1; SMN2HPGD
SCHEMBL30096534 0.86 STIM1 (0.59) LMNANPSR1GAASMN1; SMN2HPGD
SCHEMBL755023 0.86 STIM1 (0.59) LMNANPSR1GAASMN1; SMN2HPGD
SCHEMBL759178 0.86 STIM1 (0.56) LMNANPSR1GAASMN1; SMN2HPGD
SCHEMBL758268 0.84 STIM1 (0.59) LMNANPSR1GAASMN1; SMN2HPGD
SCHEMBL30096610 0.84 STIM1 (0.59) LMNANPSR1GAASMN1; SMN2HPGD
SCHEMBL30096622 0.83 STIM1 (0.52) LMNANPSR1GAASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP claimed
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
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 LMNA 857/4885NPSR1 1293/4885GAA 2471/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 LMNA 4198/4885NPSR1 1288/4885GAA 200/4885

“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.