SCHEMBL645446

SCHEMBL645446

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cc(OC)c(OC)cc2OC)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.44
NPC1 O15118 10/20 0.44
RAB9A P51151 8/20 0.44
TP53 P04637 2/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
ABCC1 P33527 1/20 0.41
KMT2A Q03164 5/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MEN1 O00255 3/20 0.41
HPGDS O60760 1/20 0.38
KLF5 Q13887 1/20 0.38
CACNA1D Q01668 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
PLK4 O00444 1/20 0.36
DYRK3 O43781 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
RET P07949 1/20 0.36

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) NPC1RAB9ATP53MITFGAA
SCHEMBL645960 0.91 NPC1 (0.46) NPC1RAB9ATP53MITFGAA
SCHEMBL648285 0.91 KMT2A (0.46) NPC1RAB9ATP53MITFGAA
SCHEMBL8236756 0.91 NPC1 (0.46) ABCB1NPC1RAB9ATP53MITF
SCHEMBL645754 0.91 HPGDS (0.40) ABCB1NPC1RAB9ATP53MITF
SCHEMBL10151395 0.91 RAB9A (0.41) ABCB1NPC1RAB9ATP53MITF
SCHEMBL645416 0.91 NPC1 (0.44) NPC1RAB9ATP53MITFGAA
SCHEMBL647961 0.91 NPC1 (0.45) NPC1RAB9ATP53MITFGAA
SCHEMBL8234095 0.90 NPC1 (0.55) NPC1RAB9ATP53MITFGAA
SCHEMBL646333 0.90 NPC1 (0.46) NPC1RAB9ATP53GAAKMT2A

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 12 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
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 ABCB1 742/4885NPC1 852/4885RAB9A 3009/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 ABCB1 742/4885NPC1 852/4885RAB9A 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.