SCHEMBL647759

SCHEMBL647759

CCC(C)C(=O)Nc1cnc(-n2c(C(F)(F)F)nc3cc(OC)ccc32)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BRD4 O60885 7/20 0.43
ADORA3 P0DMS8 4/20 0.38
KDR P35968 2/20 0.37
CLK2 P49760 2/20 0.37
HIPK4 Q8NE63 2/20 0.37
SRPK1 Q96SB4 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
STK17A Q9UEE5 2/20 0.37
PLK4 O00444 1/20 0.37
DYRK3 O43781 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
RET P07949 1/20 0.37
ROS1 P08922 1/20 0.37
FGFR1 P11362 1/20 0.37
FER P16591 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37

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
SCHEMBL2091922 0.88 NPC1 (0.43) NPC1RAB9ABRD4ADORA3KDR
SCHEMBL647637 0.87 SMN1; SMN2 (0.44) NPC1RAB9ABRD4ADORA3KDR
SCHEMBL5139714 0.86 BRD4 (0.39) BRD4ADORA3KDRCLK2HIPK4
SCHEMBL646761 0.86 ADORA3 (0.46) NPC1RAB9ABRD4ADORA3KDR
SCHEMBL10124519 0.84 RXRA (0.42) NPC1RAB9ABRD4ADORA3RXRA
SCHEMBL646580 0.84 DEGS1 (0.45) NPC1RAB9AADORA3DYRK1AMEN1
SCHEMBL648071 0.83 MAPT (0.44) NPC1RAB9ARXRAPPARGNR1H3
SCHEMBL646895 0.83 HPGDS (0.41) NPC1RAB9ARXRAALDH1A1MAPT
SCHEMBL647037 0.83 ABL1 (0.52) NPC1RAB9AADORA3MAPTKMT2A
SCHEMBL647082 0.83 BRD4 (0.43) BRD4RXRAPPARGNR1H3MEN1

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 3009/4885BRD4 521/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 NPC1 852/4885RAB9A 3009/4885BRD4 521/4885

“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.