SCHEMBL646757

SCHEMBL646757

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccnc2C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.39
IL2 P60568 1/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
KDR P35968 3/20 0.38
GAA P10253 3/20 0.38
CLK2 P49760 2/20 0.38
HIPK4 Q8NE63 2/20 0.38
SRPK1 Q96SB4 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
STK17A Q9UEE5 2/20 0.38
PLK4 O00444 1/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 1/20 0.38
FER P16591 1/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL649242 0.93 RAB9A (0.38) STING1IL2RAB9ANPC1KDR
SCHEMBL649245 0.92 STING1 (0.40) STING1IL2GAAEPHX2KMT2A
SCHEMBL645875 0.90 ALDH1A1 (0.42) RAB9ANPC1KDRGAACLK2
SCHEMBL645581 0.89 STING1 (0.44) STING1IL2GAAEPHX2KMT2A
SCHEMBL10151722 0.88 OPRL1 (0.37) RAB9ANPC1KDRGAACLK2
SCHEMBL649504 0.88 ALDH1A1 (0.41) RAB9ANPC1KDRGAACLK2
SCHEMBL648291 0.88 PTGES (0.42) KDRCLK2HIPK4SRPK1CLK4
SCHEMBL648285 0.88 KMT2A (0.46) RAB9ANPC1GAAMITFTP53
SCHEMBL646333 0.88 NPC1 (0.46) RAB9ANPC1GAADYRK1ATP53
SCHEMBL8234432 0.88 STING1 (0.42) STING1IL2GAAEPHX2MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001476-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-17 EP claimed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US claimed
WO-2007109362-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-09-27 WO claimed
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-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 STING1 469/4885IL2 44/4885RAB9A 3009/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 STING1 469/4885IL2 44/4885RAB9A 3009/4885

“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.