SCHEMBL647141

SCHEMBL647141

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccccc2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.38
CYP1A2 P05177 6/20 0.38
CYP3A4 P08684 6/20 0.38
CYP2C19 P33261 6/20 0.38
CYP2D6 P10635 5/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALOX15 P16050 3/20 0.38
ACP1 P24666 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 1/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 3/20 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
SCHEMBL647988 0.91 MAPT (0.38) TSHRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL646767 0.91 CYP2C19 (0.44) TSHRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL645748 0.90 MAPT (0.41) TSHRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL646734 0.90 MAPT (0.36) TSHRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL647018 0.90 IL1B (0.38) TSHRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL11940271 0.89 PTGS2 (0.38) TSHRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL648241 0.88 RAB9A (0.44) TSHRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL646764 0.86 ABL1 (0.42) TP53ACSS2PTGS2
SCHEMBL647757 0.86 MAPT (0.43) CLK4ACP1TP53MAPTKMT2A
SCHEMBL645597 0.85 MEN1 (0.44) TSHRCYP1A2CYP3A4CYP2C19CYP2D6

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US claimed
US-8614321-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-12-24 US disclosed
US-8324219-B2 Substituted benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-12-04 US disclosed
US-8324219-B2 Substituted benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-12-04 US disclosed
US-8324219-B2 Substituted benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-12-04 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-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-10-28 US disclosed
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-10-28 US disclosed
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-10-28 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
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 (3 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 TSHR 3457/4885CYP1A2 1041/4885CYP3A4 549/4885
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, IL5, NLRP1 TSHR 3905/4885CYP1A2 665/4885CYP3A4 217/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 TSHR 3457/4885CYP1A2 1041/4885CYP3A4 549/4885

“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.