SCHEMBL761809

SCHEMBL761809

O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccncc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 7/20 0.48
NPSR1 Q6W5P4 5/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
EGFR P00533 1/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
ALDH1A1 P00352 5/20 0.45
PTGER1 P34995 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL3064478 0.89 STIM1 (0.57) NPC1RAB9ALMNANPSR1GAA
SCHEMBL755366 0.87 STIM1 (0.52) NPC1RAB9ALMNANPSR1GAA
SCHEMBL30096622 0.87 STIM1 (0.52) NPC1RAB9ALMNANPSR1GAA
SCHEMBL695987 0.87 LMNA (0.56) NPC1RAB9ALMNANPSR1GAA
SCHEMBL759331 0.82 STIM1 (0.53) NPC1RAB9ALMNANPSR1GAA
SCHEMBL4423175 0.82 KMT2A (0.61) LMNANPSR1SMN1; SMN2HTTHPGD
SCHEMBL30096611 0.81 STIM1 (0.64) NPC1RAB9ALMNANPSR1GAA
SCHEMBL758257 0.81 STIM1 (0.64) NPC1RAB9ALMNANPSR1GAA
SCHEMBL759966 0.80 STIM1 (0.71) NPC1RAB9ALMNANPSR1SMN1; SMN2
SCHEMBL699419 0.80 STIM1 (0.57) NPC1RAB9ALMNANPSR1SMN1; 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 7 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-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

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 NPC1 1464/4885RAB9A 1678/4885LMNA 857/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 NPC1 433/4885RAB9A 1472/4885LMNA 4198/4885

“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.