SCHEMBL646334

SCHEMBL646334

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccncc2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CYP1A2 P05177 6/20 0.35
CYP3A4 P08684 6/20 0.35
CYP2C19 P33261 5/20 0.35
TSHR P16473 4/20 0.35
ALOX15 P16050 3/20 0.35
CYP2D6 P10635 5/20 0.35
USP2 O75604 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
PFKFB3 Q16875 1/20 0.33
BRD4 O60885 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
CACNA1D Q01668 1/20 0.33

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
SCHEMBL646734 0.91 MAPT (0.36) MAPTCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL647988 0.90 MAPT (0.38) MAPTCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL647978 0.89 PPARG (0.37) CYP1A2CYP3A4CYP2C19TSHRALOX15
SCHEMBL645388 0.89 STIM1 (0.40) CYP1A2CYP3A4CYP2C19TSHRALOX15
SCHEMBL648068 0.88 MKNK1 (0.38) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL646548 0.87 VNN1 (0.35) MAPTCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL648004 0.87 PFKFB3 (0.39) MAPTCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL646799 0.87 NAMPT (0.37) KDM4E
SCHEMBL647785 0.85 STIM1 (0.40) TSHRSTIM1ORAI1BRD4ALDH1A1
SCHEMBL647757 0.85 MAPT (0.43) MAPTCLK4HSD17B10ALDH1A1KDM4E

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 11 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-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 MAPT 2658/4885CYP1A2 1041/4885CYP3A4 549/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 MAPT 2658/4885CYP1A2 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.