SCHEMBL648463

SCHEMBL648463

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccc(Cl)c2Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
KDR P35968 3/20 0.38
EPHB3 P54753 1/20 0.38
LCK P06239 1/20 0.38
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
CDK2 P24941 1/20 0.37
SYK P43405 1/20 0.37
CLK2 P49760 1/20 0.37
PLK1 P53350 1/20 0.37
CDK5 Q00535 1/20 0.37
ACVR1 Q04771 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
SCHEMBL645442 0.93 MEN1 (0.41) BRD4KDREPHB3DYRK1AMAPT
SCHEMBL8235951 0.89 SMN1; SMN2 (0.38) EPHB3DYRK1AP2RX7CYP1A2CYP3A4
SCHEMBL2092178 0.89 KMT2A (0.40) BRD4KDREPHB3PLK4DYRK3
SCHEMBL647460 0.88 NPC1 (0.42) KDRLCKPLK4DYRK3MAP4K4
SCHEMBL649504 0.88 ALDH1A1 (0.41) KDRLCKPLK4DYRK3MAP4K4
SCHEMBL648251 0.88 MAPT (0.44) KDRFLT1CDK2HIPK4AURKB
SCHEMBL648291 0.87 PTGES (0.42) KDRPLK4DYRK3MAP4K4CDK1
SCHEMBL645875 0.87 ALDH1A1 (0.42) KDRPLK4DYRK3MAP4K4CDK1
SCHEMBL646333 0.87 NPC1 (0.46) BRD4DYRK1AMAPTMEN1KMT2A
SCHEMBL648285 0.87 KMT2A (0.46) MAPTMEN1KMT2ASMN1; SMN2NPC1

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 BRD4 521/4885KDR 3493/4885EPHB3 4391/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 BRD4 521/4885KDR 3493/4885EPHB3 4391/4885

“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.