SCHEMBL645960

SCHEMBL645960

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(C(F)(F)F)cc2OC)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
CACNA1D Q01668 1/20 0.43
KMT2A Q03164 2/20 0.42
NCS1 P62166 1/20 0.41
SORT1 Q99523 2/20 0.40
KLF5 Q13887 1/20 0.39
SCN8A Q9UQD0 3/20 0.39
SCN10A Q9Y5Y9 3/20 0.39
KDR P35968 1/20 0.39
CLK2 P49760 1/20 0.39
IRAK1 P51617 1/20 0.39
NEK4 P51957 1/20 0.39
MAP4K2 Q12851 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
CLK4 Q9HAZ1 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
SCHEMBL649492 0.95 NPC1 (0.51) NPC1RAB9AMITFTP53GAA
SCHEMBL8234328 0.92 NPC1 (0.43) NPC1RAB9AMITFTP53GAA
SCHEMBL645446 0.91 ABCB1 (0.44) NPC1RAB9AMITFTP53GAA
SCHEMBL647961 0.91 NPC1 (0.45) NPC1RAB9AMITFTP53GAA
SCHEMBL8234095 0.90 NPC1 (0.55) NPC1RAB9AMITFTP53GAA
SCHEMBL648285 0.90 KMT2A (0.46) NPC1RAB9AMITFTP53GAA
SCHEMBL648016 0.89 LIPE (0.43) GAACACNA1DKDRCLK2IRAK1
SCHEMBL645754 0.88 HPGDS (0.40) NPC1RAB9AMITFTP53GAA
SCHEMBL646580 0.87 DEGS1 (0.45) NPC1RAB9ATP53GAAKMT2A
SCHEMBL10151395 0.86 RAB9A (0.41) NPC1RAB9AMITFTP53GAA

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-8614321-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-12-24 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 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-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR5, NLRP3 NPC1 852/4885RAB9A 3009/4885MITF 327/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 NPC1 852/4885RAB9A 3009/4885MITF 327/4885

“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.