SCHEMBL646906

SCHEMBL646906

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cc(C)cc(C)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.40
RXRA P19793 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 1/20 0.37
GRM5 P41594 1/20 0.37
DEGS1 O15121 1/20 0.36
DYRK1A Q13627 2/20 0.36
GSK3B P49841 1/20 0.36
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
ROS1 P08922 1/20 0.36
FGFR1 P11362 1/20 0.36
FER P16591 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
SCHEMBL646827 0.93 MAPT (0.41) HPGDSRXRANPC1MITFTP53
SCHEMBL646895 0.93 HPGDS (0.41) HPGDSRXRANPC1TP53RAB9A
SCHEMBL647817 0.92 SCD (0.45) NPC1TP53RAB9AGRM5ABL1
SCHEMBL646580 0.92 DEGS1 (0.45) HPGDSNPC1TP53GAARAB9A
SCHEMBL648016 0.90 LIPE (0.43) HPGDSGAAEPHX2DEGS1KDR
SCHEMBL648772 0.89 F10 (0.42) HPGDSNPC1TP53GAARAB9A
SCHEMBL8234419 0.89 DEGS1 (0.47) HPGDSRXRAGAAEPHX2DEGS1
SCHEMBL646832 0.89 NPC1 (0.47) NPC1TP53GAARAB9AGRM5
SCHEMBL645596 0.89 MEN1 (0.44) HPGDSNPC1GAARAB9AEPHX2
SCHEMBL646984 0.89 TP53 (0.43) HPGDSNPC1TP53GAARAB9A

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 8 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-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 HPGDS 837/4885RXRA 600/4885NPC1 852/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 HPGDS 837/4885RXRA 600/4885NPC1 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.