SCHEMBL647042

SCHEMBL647042

COc1ccc2nc(C(F)(F)F)n(-c3cnc(NCc4ccncc4C)cn3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
PDE10A Q9Y233 4/20 0.37
PDE2A O00408 2/20 0.37
PDE7A Q13946 1/20 0.35
PDE11A Q9HCR9 1/20 0.35
CYP1A2 P05177 7/20 0.35
CYP3A4 P08684 7/20 0.35
CYP2C19 P33261 6/20 0.35
TSHR P16473 5/20 0.35
ALOX15 P16050 4/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
CYP2D6 P10635 6/20 0.35
USP2 O75604 4/20 0.35
CLK4 Q9HAZ1 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
LCK P06239 1/20 0.34
ROCK2 O75116 1/20 0.33
PFKFB3 Q16875 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 0.93 MAPT (0.36) MAPTPDE10ACYP1A2CYP3A4CYP2C19
SCHEMBL10151417 0.87 MAPT (0.38) MAPTPDE10APDE2APDE7APDE11A
SCHEMBL645787 0.86 IL1B (0.38) PDE10ACYP1A2CYP3A4CYP2C19TSHR
SCHEMBL646334 0.84 MAPT (0.36) MAPTPDE10ACYP1A2CYP3A4CYP2C19
SCHEMBL8234091 0.84 PDE10A (0.35) MAPTPDE10ACYP1A2CYP3A4CYP2C19
SCHEMBL647141 0.82 TSHR (0.38) MAPTCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL646474 0.82 RXRA (0.39) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL646781 0.81 STIM1 (0.42) TSHRSTIM1ORAI1ALDH1A1MEN1
SCHEMBL646780 0.81 TP53 (0.38) MAPTPDE10APDE2APDE7APDE11A
SCHEMBL648068 0.80 MKNK1 (0.38) MAPTCYP1A2CYP3A4CYP2C19CYP2D6

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-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-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 2658/4885PDE10A 1991/4885PDE2A 1662/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 MAPT 2658/4885PDE10A 1991/4885PDE2A 1662/4885

“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.