SCHEMBL647018

SCHEMBL647018

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2cccnc2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.38
CYP3A4 P08684 6/20 0.37
CYP1A2 P05177 5/20 0.37
TSHR P16473 4/20 0.37
CYP2C19 P33261 4/20 0.37
ALOX15 P16050 3/20 0.37
PDE10A Q9Y233 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
GFER P55789 1/20 0.35
CYP2D6 P10635 4/20 0.35
USP2 O75604 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
PTK2 Q05397 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL645787 0.93 IL1B (0.38) IL1BCYP3A4CYP1A2TSHRCYP2C19
SCHEMBL647141 0.90 TSHR (0.38) CYP3A4CYP1A2TSHRCYP2C19ALOX15
SCHEMBL646767 0.88 CYP2C19 (0.44) CYP3A4CYP1A2TSHRCYP2C19ALOX15
SCHEMBL647988 0.88 MAPT (0.38) CYP3A4CYP1A2TSHRCYP2C19ALOX15
SCHEMBL645748 0.87 MAPT (0.41) CYP3A4CYP1A2TSHRCYP2C19ALOX15
SCHEMBL648000 0.87 ALOX15 (0.39) IL1BALOX15PTK2MEN1KMT2A
SCHEMBL646734 0.86 MAPT (0.36) CYP3A4CYP1A2TSHRCYP2C19ALOX15
SCHEMBL648241 0.85 RAB9A (0.44) CYP3A4CYP1A2TSHRCYP2C19ALOX15
SCHEMBL647757 0.85 MAPT (0.43) CLK4HSD17B10KMT2AACP1
SCHEMBL646334 0.84 MAPT (0.36) CYP3A4CYP1A2TSHRCYP2C19ALOX15

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 IL1B 26/4885CYP3A4 549/4885CYP1A2 1041/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 IL1B 26/4885CYP3A4 549/4885CYP1A2 1041/4885

“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.