SCHEMBL646761

SCHEMBL646761

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.46
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.40
RXRA P19793 2/20 0.40
BRD4 O60885 3/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
ADORA1 P30542 1/20 0.39
KDR P35968 2/20 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

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
SCHEMBL10124519 0.95 RXRA (0.42) ADORA3RAB9ANPC1SMN1; SMN2RXRA
SCHEMBL647637 0.93 SMN1; SMN2 (0.44) ADORA3RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2096491 0.87 ADORA3 (0.46) ADORA3RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL647759 0.86 NPC1 (0.43) ADORA3RAB9ANPC1SMN1; SMN2RXRA
SCHEMBL646580 0.85 DEGS1 (0.45) ADORA3RAB9ANPC1SMN1; SMN2TP53
SCHEMBL648071 0.85 MAPT (0.44) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL649498 0.85 SUV39H1 (0.43) RAB9ANPC1SMN1; SMN2RXRAPLK1
SCHEMBL647037 0.84 ABL1 (0.52) ADORA3RAB9ANPC1TP53
SCHEMBL646895 0.84 HPGDS (0.41) RAB9ANPC1SMN1; SMN2TP53RXRA
SCHEMBL646792 0.84 SUV39H1 (0.42) RXRA

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 ADORA3 812/4885RAB9A 3009/4885NPC1 852/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 ADORA3 812/4885RAB9A 3009/4885NPC1 852/4885

“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.