SCHEMBL648258

SCHEMBL648258

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2c(F)cncc2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
IL2 P60568 1/20 0.36
GRM5 P41594 1/20 0.36
HPGDS O60760 3/20 0.36
KDR P35968 3/20 0.35
CLK2 P49760 2/20 0.35
HIPK4 Q8NE63 2/20 0.35
SRPK1 Q96SB4 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
STK17A Q9UEE5 2/20 0.35
PLK4 O00444 1/20 0.35
DYRK3 O43781 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK1 P06493 1/20 0.35
RET P07949 1/20 0.35
ROS1 P08922 1/20 0.35
FGFR1 P11362 1/20 0.35
FER P16591 1/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL647154 0.93 RAB9A (0.43) IL2KDRCLK2HIPK4SRPK1
SCHEMBL646066 0.91 ACSS2 (0.37) STIM1ORAI1IL2EPHX2RXRA
SCHEMBL647823 0.90 RET (0.36) GRM5HPGDSKDRCLK2HIPK4
SCHEMBL645920 0.89 ORAI1 (0.45) STIM1ORAI1IL2HPGDSKDR
SCHEMBL647099 0.89 RXRA (0.37) STIM1ORAI1IL2FGFR1EPHX2
SCHEMBL645754 0.89 HPGDS (0.40) GRM5HPGDSKDRCLK2HIPK4
SCHEMBL645944 0.88 NPC1 (0.37) GRM5HPGDSKDRCLK2HIPK4
SCHEMBL646580 0.87 DEGS1 (0.45) HPGDSDYRK1AEPHX2RAB9ANPC1
SCHEMBL646333 0.87 NPC1 (0.46) DYRK1ABRD4RAB9ANPC1
SCHEMBL645596 0.87 MEN1 (0.44) GRM5HPGDSEPHX2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US claimed
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-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
EP-2001476-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-17 EP 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
WO-2007109362-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-09-27 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 (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 STIM1 1728/4885ORAI1 1451/4885IL2 44/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 STIM1 1728/4885ORAI1 1451/4885IL2 44/4885

“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.