SCHEMBL754986

SCHEMBL754986

O=C(Nc1cc[nH]n1)c1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
TYK2 P29597 14/20 0.51
JAK2 O60674 12/20 0.51
JAK1 P23458 7/20 0.51
CYP3A4 P08684 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.43
CDK9 P50750 1/20 0.43
JAK3 P52333 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
SCHEMBL29164538 0.90 TYK2 (0.57) RAB9ATYK2JAK2JAK1CYP3A4
SCHEMBL759767 0.83 CCNA2 (0.58) RAB9ATYK2JAK2JAK1GAA
SCHEMBL29164864 0.81 PDE10A (0.51) RAB9ATAS1R3TAS1R1TAS1R2HPGD
SCHEMBL30822730 0.81 PDE10A (0.51) RAB9ATAS1R3TAS1R1TAS1R2HPGD
SCHEMBL29164888 0.81 TYK2 (0.42) RAB9ATYK2CYP3A4TAS1R3TAS1R1
SCHEMBL706559 0.81 MEN1 (0.63) RAB9ATYK2JAK2JAK1GAA
SCHEMBL29164555 0.79 L3MBTL1 (0.43) RAB9ATYK2JAK2JAK1TAS1R3
SCHEMBL7175136 0.78 CYP1A2 (0.58) RAB9ACYP3A4GAA
SCHEMBL3421073 0.77 NPC1 (0.63) RAB9AJAK2JAK1L3MBTL1KMT2A
SCHEMBL3928941 0.77 TTR (0.37) RAB9ATYK2JAK2JAK1GAA

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 8 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
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 RAB9A 1678/4885TYK2 1534/4885JAK2 2500/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 RAB9A 1472/4885TYK2 1914/4885JAK2 623/4885

“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.