SCHEMBL6935301

SCHEMBL6935301

COCCc1ncc(C)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
AGBL2 Q5U5Z8 1/20 0.33
GRIN2B Q13224 3/20 0.32
ALOX5AP P20292 5/20 0.31
PLAU P00749 1/20 0.31
DHODH Q02127 1/20 0.31
SLC13A5 Q86YT5 2/20 0.31
SLC13A2 Q13183 1/20 0.31
SLC13A3 Q8WWT9 1/20 0.31
GRIN1 Q05586 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CXCR4 P61073 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL20261166 0.85 CCR1 (0.37) P2RX3P2RX2AGBL2GRIN2BALOX5AP
SCHEMBL25124308 0.81 LMNA (0.37) P2RX3P2RX2AGBL2GRIN2BALOX5AP
SCHEMBL16741027 0.81 AGBL2 (0.37) P2RX3P2RX2HCAR2AGBL2GRIN2B
SCHEMBL22672514 0.76 FFAR1 (0.48) AGBL2PLAUSLC13A5
SCHEMBL4132951 0.75 NOS3 (0.35) P2RX3P2RX2AGBL2GRIN2BGRIN1
SCHEMBL30854474 0.74 AGBL2 (0.35) P2RX3P2RX2AGBL2GRIN2BALOX5AP
SCHEMBL21360901 0.74 GRM2 (0.39) GRIN2BGRIN1CHRM2CHRM4CHRM5
SCHEMBL13732029 0.73 NOS3 (0.39) P2RX3P2RX2AGBL2GRIN2BGRIN1
SCHEMBL16039165 0.73 CCR1 (0.34) P2RX3P2RX2AGBL2GRIN2BALOX5AP
SCHEMBL29636159 0.73 CCR1 (0.34) P2RX3P2RX2AGBL2GRIN2BALOX5AP

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-2545055-B1 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2017-08-09 EP disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV 2012-12-27 US disclosed
US-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV 2012-12-27 US disclosed
WO-2011110545-A1 IMIDAZO [1, 2 -A] PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV (BE) 2011-09-15 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-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES PDE12, PDE10A, PDE5A P2RX3 882/4885P2RX2 822/4885HCAR2 1368/4885

“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.